SCHEMBL9714646

SCHEMBL9714646

CC(C#N)CCc1cccc(CCl)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
CTSC P53634 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9714829 0.88 CYP3A4 (0.34) MEN1KMT2ACYP3A4TDP1POLB
SCHEMBL9714816 0.86 SLC6A2 (0.34) MEN1KMT2ACYP3A4TDP1TSHR
SCHEMBL9714712 0.82 TSHR (0.36) MEN1KMT2ACYP3A4TDP1TSHR
SCHEMBL9714665 0.80 SGMS2 (0.39) MEN1KMT2ACYP3A4TDP1TSHR
SCHEMBL9714823 0.79 MAOA (0.35) POLB
SCHEMBL9714779 0.78 CYP3A4 (0.33) MEN1KMT2ACYP3A4TDP1TSHR
SCHEMBL9714680 0.78 MAOB (0.32)
SCHEMBL9714785 0.76 CTSB (0.35) CYP3A4TDP1TSHRCTSCATM
SCHEMBL9714488 0.76 CYP3A4 (0.36) CYP3A4TDP1TSHRCTSC
SCHEMBL13900603 0.76 POLB (0.47) MEN1KMT2APOLBTSHRCTSC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed