SCHEMBL7650722

SCHEMBL7650722

CNC(=O)c1nc2ccc(C)cc2c(-c2ccc(F)cc2F)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.41
TCF7L2 Q9NQB0 4/20 0.41
GCGR P47871 1/20 0.40
DHODH Q02127 3/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSA P10619 1/20 0.36
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CASP3 P42574 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G2A P14555 1/20 0.36
DPP4 P27487 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8208014 0.80 KDM4E (0.45) DHODHLMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL9907593 0.64 HTR5A (0.56) DHODHLMNASMN1; SMN2KDM4ECASP3
SCHEMBL9907553 0.62 HTR5A (0.48) DHODHLMNASMN1; SMN2KDM4ECASP3
SCHEMBL9907560 0.62 ALDH1A1 (0.52) SMN1; SMN2KDM4ECASP3HSD17B10ALDH1A1
SCHEMBL28156609 0.62 ALDH1A1 (0.52) DHODHLMNAGRM2KDM4EHSD17B10
SCHEMBL31353481 0.62 GRM2 (0.45) DHODHGRM2KDM4EALDH1A1HPGD
SCHEMBL25225311 0.62 ALPL (0.39) DPP4
SCHEMBL30352714 0.62 ALPL (0.39) DPP4
SCHEMBL25204879 0.62 GRM5 (0.42) CTSADPP4
SCHEMBL31098455 0.61 KDM4E (0.41) GCGRLMNAGRM2KDM4EDPP4

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed