SCHEMBL22068697

SCHEMBL22068697

CCSc1ccc(CNC(=O)c2cc3c(s2)CN(Cc2ccc(C(F)(F)F)cc2)C3)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RORC P51449 16/20 0.45
BACE1 P56817 1/20 0.42
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
SCHEMBL22247002 0.85 RORC (0.51) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL20903865 0.85 RORC (0.53) RORC
SCHEMBL22068360 0.82 RORC (0.60) RORC
SCHEMBL22069509 0.81 RORC (0.52) RORC
SCHEMBL22069256 0.79 RORC (0.50) RORC
SCHEMBL1175397 0.78 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL20903832 0.74 RORC (0.49) RORC
SCHEMBL18647650 0.72 RORC (0.57) RORC
SCHEMBL20903773 0.71 RORC (0.52) RORC
SCHEMBL23223365 0.71 RORC (0.61) RORC

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-3663299-A1 BICYCLIC COMPOUND ACTING AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-10 EP disclosed