SCHEMBL9724191

SCHEMBL9724191

Cc1ccc2nc(C(N)=O)cc(Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
GRM2 Q14416 15/20 0.58
PKM P14618 1/20 0.44
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL27623216 0.88 GRM2 (0.69) LMNAGRM2
SCHEMBL3350745 0.87 LMNA (0.62) LMNAGRM2PKMGPR35
SCHEMBL16833045 0.81 ALDH1A1 (0.58) LMNAGRM2SMN1; SMN2
SCHEMBL6004248 0.81 GRM2 (0.54) LMNAGRM2
SCHEMBL9729781 0.80 ALDH1A1 (0.55) LMNAPKMSMN1; SMN2
SCHEMBL2708959 0.79 GRM2 (0.63) LMNAGRM2
SCHEMBL9724269 0.78 GRM2 (0.43) LMNAGRM2
SCHEMBL16833596 0.77 NQO2 (0.61) GRM2SMN1; SMN2
SCHEMBL2908229 0.76 GPR35 (0.55) LMNAGRM2GPR35
SCHEMBL17827033 0.75 LMNA (0.68) LMNARAD52SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0318225-A2 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed