SCHEMBL22397243

SCHEMBL22397243

COc1cnc(OC)c(C(N)=O)c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DHPS P49366 1/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ KIT P10721 1/20 0.38

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
SCHEMBL12873970 0.76 ALDH1A1 (0.44) MAPTALDH1A1USP2HPGDALOX15
SCHEMBL28778944 0.71 MAPT (0.48) MAPTALDH1A1HPGDALOX15NPSR1
SCHEMBL28132009 0.71 FAAH (0.56) MAPTALDH1A1USP2HPGDALOX15
SCHEMBL28173058 0.70 ALDH1A1 (0.44) MAPTALDH1A1USP2HPGDALOX15
SCHEMBL10626000 0.70 ALDH1A1 (0.41) MAPTALDH1A1USP2HPGDALOX15
SCHEMBL528021 0.70 HTR1A (0.42) KIT
SCHEMBL5214187 0.70 PLA2G1B (0.41) MAPTALDH1A1USP2HPGDALOX15
SCHEMBL17501675 0.70 ALDH1A1 (0.49) MAPTALDH1A1USP2HPGDALOX15
SCHEMBL27953858 0.69 SMN1; SMN2 (0.54) ALDH1A1HSD17B10POLBSMN1; SMN2PLA2G2A
SCHEMBL12095430 0.69 PARP10 (0.47) MAPTALDH1A1POLBMRGPRX4KDM4E

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
EP-3704118-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 — — EP disclosed
Send feedback