SCHEMBL494117

SCHEMBL494117

COc1ccc(-c2noc(C(=O)NCCC(=O)NC3CCC(C(CCc4ccccc4)N(C)C)CC3)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL493677 0.93 KMT2A (0.49) HPGDKMT2A
SCHEMBL494598 0.89 LMNA (0.44) HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL493429 0.87 HPGD (0.51) HPGDKMT2A
SCHEMBL493063 0.84 SMN1; SMN2 (0.59) KMT2ATSHRSMN1; SMN2
SCHEMBL493654 0.84 KMT2A (0.41) KMT2ATSHRSMN1; SMN2
SCHEMBL493502 0.82 KMT2A (0.40) HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL493354 0.81 CCR2 (0.42) KMT2ATSHRSMN1; SMN2
SCHEMBL493674 0.81 TDP1 (0.38) HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL492980 0.80 KDM4E (0.45) HPGDKMT2ACYP1A2CYP2C9TSHR
SCHEMBL493591 0.80 SMN1; SMN2 (0.47) KMT2ACYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed