SCHEMBL9700304

SCHEMBL9700304

CCOC(=O)C(C)(CS)c1nc2ccc(Cl)nc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 2/20 0.38
ABCB11 O95342 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
CCR9 P51686 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 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
SCHEMBL9682372 0.84 KDM4E (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9700250 0.80 CCR9 (0.41) CCR9LMNATBXA2RNPC1SMN1; SMN2
SCHEMBL9700294 0.79 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3103170 0.69 TBXA2R (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9700242 0.68 TBXA2R (0.62) PPARACCR9LMNATBXA2RNPC1
SCHEMBL9700338 0.68 RAB9A (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9682366 0.67 TBXA2R (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9700200 0.65 TBXA2R (0.56) ALDH1A1TBXA2R
SCHEMBL9213212 0.63 TBXA2R (0.39) KDM4EALDH1A1CCR9TBXA2R
SCHEMBL3088456 0.62 TBXA2R (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed