SCHEMBL178541

SCHEMBL178541

CNCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.53
NR1H4 Q96RI1 7/20 0.53
LOXL2 Q9Y4K0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESRRG P62508 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL31563671 0.98 EPHX2 (0.51) EPHX2NR1H4LOXL2KDM4ECYP3A4
SCHEMBL20902781 0.83 CA1 (0.65) EPHX2NR1H4CA1CA2HDAC3
SCHEMBL20283130 0.82 LOXL2 (0.47) EPHX2NR1H4LOXL2KDM4ECYP3A4
SCHEMBL13247118 0.82 LOXL2 (0.47) EPHX2NR1H4LOXL2KDM4ECYP3A4
SCHEMBL14108213 0.82 LOXL2 (0.47) EPHX2NR1H4LOXL2KDM4ECYP3A4
SCHEMBL2504209 0.82 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPT
SCHEMBL13168316 0.81 CA1 (0.53) EPHX2NR1H4KDM4ECA1CA2
SCHEMBL25588076 0.81 EPHX2 (0.49) EPHX2NR1H4CA1CA2HDAC3
SCHEMBL9312691 0.80 LOXL2 (0.45) EPHX2NR1H4LOXL2KDM4ECYP3A4
SCHEMBL348623 0.79 TSHR (0.52) EPHX2NR1H4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 175 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493384-B Preparation method of butenafine hydrochloride 鲁南制药集团股份有限公司 2024-05-03 CN claimed
CN-116813479-A Preparation method of butenafine hydrochloride 山东新时代药业有限公司 2023-09-29 CN claimed
CN-112209837-B Synthesis method of bributin hydrochloride 鲁南制药集团股份有限公司 2023-03-24 CN claimed
CN-114824092-A Solar cell based on quasi two-dimensional-two-dimensional perovskite and preparation method thereof 河北工业大学 2022-07-29 CN claimed
CN-114420852-A Preparation method of pure-phase RP perovskite film 河北工业大学 2022-04-29 CN claimed
CN-113493384-A Preparation method of butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN claimed
CN-112209837-A Synthesis method of butenaphthol hydrochloride 鲁南制药集团股份有限公司 2021-01-12 CN claimed
JP-61000045-A None JP disclosed
JP-9169711-A None JP disclosed
JP-3200747-A None JP disclosed
CN-113493388-B Synthesis method of butenafine hydrochloride 鲁南制药集团股份有限公司 2024-05-10 CN disclosed
CN-113493384-B Preparation method of butenafine hydrochloride 鲁南制药集团股份有限公司 2024-05-03 CN disclosed
CN-113493384-B Preparation method of butenafine hydrochloride 鲁南制药集团股份有限公司 2024-05-03 CN disclosed
US-5021458-A Amine derivatives and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0164697-B1 AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-11-07 EP disclosed
US-4939148-A Amine derivatives, processes for their production and their use SANDOZ, LTD. (CH) 1990-07-03 US disclosed
CN-1007975-B Process for the preparation of amine derivatives KAKEN PHARMACEUFICAL CO LTD (JP) 1990-05-16 CN disclosed
CN-85104330-A Process for the preparation of amine derivatives and fungicides containing amine derivatives 1986-12-03 CN disclosed
JP-S6145-A NAPHTHYLMETHYLAMINE DERIVATIVE AND ANTIFUNGAL CONTAINING THE SAME KAKEN PHARMACEUT CO LTD 1986-01-06 JP disclosed
EP-0164697-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed