SCHEMBL25840648

SCHEMBL25840648

COc1ccc(CC(=O)Nc2nc3cc(C)ccc3s2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.61
LMNA P02545 4/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 1/20 0.61
MAPK10 P53779 1/20 0.61
EPHX2 P34913 1/20 0.59
CSNK1D P48730 4/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 2/20 0.57
GLS O94925 1/20 0.56
DYRK1A Q13627 1/20 0.56

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
SCHEMBL15112849 0.91 CSNK1D (0.70) LMNAMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL15113374 0.89 GAA (0.64) ROCK2LMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL15112848 0.88 LMNA (0.62) ROCK2LMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL20013893 0.87 ROCK2 (0.60) ROCK2LMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL20653553 0.86 ROCK2 (0.85) ROCK2
SCHEMBL15489027 0.84 CSNK1D (0.69) LMNASMN1; SMN2CSNK1DMEN1KMT2A
SCHEMBL20408266 0.83 CSNK1D (0.68) LMNASMN1; SMN2CSNK1DMEN1KMT2A
SCHEMBL15113372 0.83 CSNK1D (0.81) SMN1; SMN2TSHRMAPK10CSNK1DMAPT
SCHEMBL15112843 0.82 CSNK1D (0.71) LMNACSNK1DMAPTGAA
SCHEMBL17410545 0.82 GAA (0.64) LMNAMAPK1SMN1; SMN2KDM4ETSHR

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-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 EP disclosed