SCHEMBL9313621

SCHEMBL9313621

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 1/20 0.48
MLYCD O95822 1/20 0.46
NR1H4 Q96RI1 3/20 0.45
EPHX2 P34913 2/20 0.45
ESRRG P62508 1/20 0.44
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RIPK1 Q13546 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL9314839 0.78 KMT2A (0.45) MEN1KMT2AMLYCDNR1H4EPHX2
SCHEMBL6411595 0.77 RIPK1 (0.42) MEN1KMT2AATMMAPTRIPK1
SCHEMBL9721975 0.76 LMNA (0.67) MEN1KMT2ANR1H4EPHX2LMNA
SCHEMBL21923501 0.76 MLYCD (0.70) MEN1KMT2AMLYCDNR1H4ESRRG
SCHEMBL8059262 0.74 PTGES (0.49) CDK4CCND1MEN1KMT2AATM
SCHEMBL9722175 0.72 NR1I2 (0.47) MEN1KMT2AHPGDTP53MAPT
SCHEMBL9313576 0.72 PDK1 (0.49) CDK4CCND1MEN1KMT2AATM
SCHEMBL4406602 0.70 ESRRG (0.59) CDK4CCND1MEN1KMT2ANR1H4
SCHEMBL29912623 0.69 MEN1 (0.76) MEN1KMT2AATMMLYCDRIPK1
SCHEMBL17874132 0.69 MEN1 (0.76) MEN1KMT2AATMMLYCDRIPK1

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 6 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-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed