SCHEMBL9314839

SCHEMBL9314839

CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MLYCD O95822 1/20 0.43
TACR1 P25103 2/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL28510216 0.82 NR1I2 (0.56) KMT2AMEN1RAB9AALDH1A1TACR1
SCHEMBL9313621 0.78 CDK4 (0.51) KMT2AMEN1RAB9AMLYCDHPGD
SCHEMBL8568491 0.74 MEN1 (0.50) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL9721975 0.74 LMNA (0.67) KMT2AMEN1RAB9AALDH1A1TACR1
SCHEMBL17934459 0.73 KMT2A (0.48) KMT2AMEN1RAB9AALDH1A1MLYCD
SCHEMBL21923501 0.73 MLYCD (0.70) KMT2AMEN1RAB9AALDH1A1MLYCD
SCHEMBL9313360 0.72 KMT2A (0.47) KMT2AMEN1ALDH1A1TACR1HPGD
SCHEMBL9312663 0.69 MEN1 (0.43) KMT2AMEN1RAB9AALDH1A1NR1I2
SCHEMBL6248992 0.69 SIGMAR1 (0.44) KMT2AMEN1RAB9AALDH1A1NR1H4
SCHEMBL9722175 0.69 NR1I2 (0.47) KMT2AMEN1ALDH1A1HPGDNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34770-E 1-benzothiophene derivatives; side effect reduction KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-11-01 US disclosed
US-5334628-A Amine derivatives, processes for preparing the same and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
US-5200423-A AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-04-06 US disclosed
US-5106866-A Skin disorders KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-04-21 US 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
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
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