SCHEMBL9366992

SCHEMBL9366992

Cc1nc2ccc(C[N]CCO)cc2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TYMS P04818 5/20 0.47
IP6K1 Q92551 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARG Q86W56 1/20 0.43
ACVR1 Q04771 2/20 0.41

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
SCHEMBL9321666 0.81 TYMS (0.57) HSD17B10KDM4ELMNATYMSIP6K1
SCHEMBL7257451 0.78 KDM4E (0.59) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL9514599 0.78 KDM4E (0.59) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL27812566 0.74 KDM4E (0.55) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL27496027 0.74 KDM4E (0.55) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL9555707 0.72 KDM4E (0.52) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL29901695 0.71 KDM4E (0.62) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL28637729 0.71 KDM4E (0.62) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL29535139 0.71 KDM4E (0.66) HSD17B10KDM4ELMNAPOLBNPSR1
SCHEMBL7263029 0.71 KDM4E (0.66) HSD17B10KDM4ELMNAPOLBNPSR1

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-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed