SCHEMBL493502

SCHEMBL493502

COc1ccccc1-c1noc(C(=O)NCC(=O)NC2CCC(C(CCc3ccccc3)N(C)C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR2 P41597 1/20 0.37
KCNA3 P22001 1/20 0.37

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 0.90 KMT2A (0.49) KMT2AHPGDMAPT
SCHEMBL493274 0.88 LIPG (0.36) TSHRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL493800 0.86 GHSR (0.38) KMT2ATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL494415 0.86 TSHR (0.42) KMT2AALDH1A1MEN1TSHRNPC1
SCHEMBL493049 0.86 KMT2A (0.38) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL493060 0.85 FAAH (0.44) TSHRNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL493591 0.85 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2LMNAMAPTPKM
SCHEMBL493674 0.85 TDP1 (0.38) KMT2AALDH1A1TSHRNPC1RAB9A
SCHEMBL493221 0.85 SMN1; SMN2 (0.56) KMT2AALDH1A1MEN1TSHRNPC1
SCHEMBL492980 0.84 KDM4E (0.45) KMT2AALDH1A1TSHRNPC1SMN1; 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