SCHEMBL7908575

SCHEMBL7908575

CNCCOc1ccc(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.54
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
ESRRA P11474 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 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
SCHEMBL6811050 0.89 RORC (0.56) RORCMEN1KMT2AALDH1A1HTT
SCHEMBL6815381 0.88 RORC (0.58) RORCMEN1KMT2AALDH1A1ESRRA
SCHEMBL6814919 0.88 RORC (0.54) RORCMEN1KMT2AALDH1A1ESRRA
SCHEMBL6816236 0.87 RORC (0.73) RORCMEN1KMT2AALDH1A1ESRRA
SCHEMBL6816131 0.87 RORC (0.53) RORCMEN1KMT2AALDH1A1HTT
SCHEMBL7638372 0.86 RORC (0.55) RORCMEN1KMT2AALDH1A1HTT
SCHEMBL6815907 0.83 ALDH1A1 (0.54) RORCMEN1KMT2AALDH1A1HTT
SCHEMBL6810840 0.83 RORC (0.54) RORCMEN1KMT2AALDH1A1ESRRA
SCHEMBL6816205 0.82 RORC (0.53) RORCMEN1KMT2AALDH1A1ESRRA
SCHEMBL7908567 0.82 RORC (0.61) RORCMEN1KMT2AALDH1A1HTT

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-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed