SCHEMBL19554343

SCHEMBL19554343

COCc1cc(NC(=O)c2ccc3ccccc3c2)c(C(=O)OC)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
ALOX12 P18054 1/20 0.53
NR1H4 Q96RI1 3/20 0.49
GAA P10253 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
F10 P00742 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL19554207 0.91 RAB9A (0.52) KDM4EALDH1A1NR1H4GAANPC1
SCHEMBL19554145 0.81 ALDH1A1 (0.45) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL21446855 0.80 KDM4E (0.77) KDM4EALDH1A1ALOX12NR1H4GAA
SCHEMBL19554242 0.79 KDM4E (0.61) KDM4EALDH1A1ALOX12NR1H4GAA
SCHEMBL4829005 0.78 KDM4E (0.63) KDM4EALDH1A1ALOX12NR1H4GAA
SCHEMBL22213622 0.75 KDM4E (0.57) KDM4EALDH1A1ALOX12NR1H4NPC1
SCHEMBL22213559 0.75 KDM4E (0.57) KDM4EALDH1A1ALOX12NR1H4GAA
SCHEMBL19554221 0.74 KMT2A (0.64) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL19554308 0.74 KDM4E (0.56) KDM4EALDH1A1ALOX12NR1H4GAA
SCHEMBL19554355 0.74 DHODH (0.56) KDM4EALDH1A1NR1H4GAANPC1

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed