SCHEMBL21549482

SCHEMBL21549482

CCc1ccc(C(=O)N(C)c2ccc3c(c2)c(C(C)C)cc(=O)n3CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL21549481 0.91 RORC (0.39) RORCSMN1; SMN2NPY5RKDM4ETP53
SCHEMBL20183809 0.90 MAPT (0.40) RORCSMN1; SMN2NPY5RKDM4ETP53
SCHEMBL20183843 0.89 RORC (0.44) RORCSMN1; SMN2NPY5RKDM4ETP53
SCHEMBL20183702 0.88 RORC (0.52) RORC
SCHEMBL20183608 0.85 RORC (0.38) RORCSMN1; SMN2NPY5RKDM4ETP53
SCHEMBL20354318 0.84 KDM4E (0.42) RORCSMN1; SMN2KDM4ETP53MAPT
SCHEMBL20183791 0.84 ALDH1A1 (0.38) RORCSMN1; SMN2NPY5RKDM4ETP53
SCHEMBL20183650 0.83 ALDH1A1 (0.41) RORCSMN1; SMN2KDM4ETP53MAPT
SCHEMBL20183556 0.83 RORC (0.38) RORCSMN1; SMN2NPY5RKDM4ETP53
SCHEMBL20183854 0.83 ALDH1A1 (0.42) RORCSMN1; SMN2NPY5RKDM4ETP53

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
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed