SCHEMBL28510216

SCHEMBL28510216

CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
LMNA P02545 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
ACHE P22303 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2A P28223 1/20 0.56
SLC6A4 P31645 1/20 0.56
KCNH2 Q12809 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.47
CTSG P08311 1/20 0.47
MAPT P10636 1/20 0.45
TACR1 P25103 1/20 0.44
FFAR2 O15552 1/20 0.44
PTGES O14684 1/20 0.44

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
SCHEMBL9313360 0.89 KMT2A (0.47) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9314839 0.82 KMT2A (0.45) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9313397 0.82 KMT2A (0.50) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL17934459 0.78 KMT2A (0.48) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL18650130 0.77 NR4A1 (0.47) LMNACYP2D6SIGMAR1KMT2AMEN1
SCHEMBL9312663 0.76 MEN1 (0.43) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL28042188 0.76 HDAC2 (0.69) LMNAKMT2AMEN1HPGDRAB9A
SCHEMBL18652132 0.75 NR4A1 (0.52) LMNACYP2D6SIGMAR1KMT2AMEN1
SCHEMBL21923501 0.75 MLYCD (0.70) LMNASIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL24131098 0.74 F7 (0.56) KMT2AMEN1CTSG

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493385-B Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2024-03-15 CN disclosed
CN-112209837-B Synthesis method of bributin hydrochloride 鲁南制药集团股份有限公司 2023-03-24 CN disclosed
CN-112209838-B Preparation method of butenaphthol hydrochloride 鲁南制药集团股份有限公司 2023-02-17 CN disclosed
CN-115403485-A Butenafine intermediate compound 山东新时代药业有限公司 2022-11-29 CN disclosed
CN-114369039-A Preparation method of butenafine intermediate 鲁南制药集团股份有限公司 2022-04-19 CN disclosed
CN-113493384-A Preparation method of butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN disclosed
CN-113493385-A Method for synthesizing butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN disclosed
CN-113493388-A Synthesis method of butenafine hydrochloride 鲁南制药集团股份有限公司 2021-10-12 CN disclosed
CN-112209838-A Preparation method of butenaphthol hydrochloride 鲁南制药集团股份有限公司 2021-01-12 CN disclosed
CN-112209837-A Synthesis method of butenaphthol hydrochloride 鲁南制药集团股份有限公司 2021-01-12 CN disclosed