SCHEMBL9873229

SCHEMBL9873229

COc1cc2cnn(CCCCl)c(=O)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ CLK2 P49760 1/20 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
SCHEMBL8596166 0.92 PDE10A (0.41) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL9875402 0.88 TNF (0.40) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL8598436 0.84 TNF (0.41) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL11547286 0.78 TNF (0.38) HSD17B10KDM4EALDH1A1TNFLMNA
SCHEMBL6628033 0.77 ALDH1A1 (0.50) HSD17B10PDE10AALDH1A1HTT
SCHEMBL26100427 0.77 LRRK2 (0.50) HSD17B10KDM4ESMN1; SMN2PLK4PRKD3
SCHEMBL29702360 0.77 LRRK2 (0.50) HSD17B10KDM4ESMN1; SMN2PLK4PRKD3
Hydrochloric Acid SCHEMBL11553277 0.75 BLM (0.54) KDM4ESMN1; SMN2MAPT
SCHEMBL11548628 0.75 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2PDE10AALDH1A1TNF
Hydrochloric Acid SCHEMBL11550853 0.75 SMPD1 (0.47) MAPT

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-4983606-A Pharmaceutically-active phthalazine compounds ZAMBON GROUP S.P.A. (IT) 1991-01-08 — — US disclosed
US-4134980-A Phenylalkylamino-alkyl derivatives of quinazolinone and phthalazinone BOEHRINGER INGELHEIM GMBH (DE) 1979-01-16 — — US disclosed
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