SCHEMBL28537805

SCHEMBL28537805

Cc1noc(-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)c1C(O)c1nnc(Cc2ccccc2)o1.Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1C(O)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
SIGMAR1 Q99720 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9742 0.83 LPAR1 (0.41) LPAR1LPAR2LPAR3SIGMAR1TSHR
SCHEMBL9860 0.83 LPAR1 (0.37) LPAR1TSHR
SCHEMBL9813 0.80 LPAR1 (0.39) LPAR1SIGMAR1TSHR
SCHEMBL9700 0.80 LPAR1 (0.44) LPAR1LPAR2LPAR3TSHR
SCHEMBL9897 0.76 OPRM1 (0.40) LPAR1SIGMAR1
SCHEMBL1607216 0.76 LPAR1 (0.46) LPAR1LPAR3
SCHEMBL3312 0.76 LPAR1 (0.46) LPAR1LPAR3
SCHEMBL1608181 0.76 LPAR1 (0.46) LPAR1LPAR3
SCHEMBL9449 0.75 HTT (0.42) LPAR1LPAR2LPAR3SIGMAR1TSHR
SCHEMBL10190 0.74 LPAR1 (0.41) LPAR1LPAR3

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
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 CN disclosed