SCHEMBL17762702

SCHEMBL17762702

Clc1ccc(C=CC=C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CMA1 P23946 1/20 0.44
▸ APP P05067 5/20 0.44
▸ SNCA P37840 5/20 0.44
▸ NFE2L2 Q16236 1/20 0.43
▸ AHR P35869 1/20 0.42
▸ MAOB P27338 3/20 0.41
▸ MAOA P21397 1/20 0.41
▸ SOS1 Q07889 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 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
SCHEMBL17762732 1.00 MAPT (0.55) MAPTNPC1POLBMAPK1RECQL
SCHEMBL17762754 0.83 MAPT (0.63) MAPTNPC1POLBMAPK1RECQL
SCHEMBL4135006 0.77 CYP19A1 (0.57) MAOBMAOA
SCHEMBL2622601 0.76 MAOB (0.70) MAPTNPC1POLBMAPK1RECQL
SCHEMBL137664 0.76 MAOB (0.70) MAPTNPC1POLBMAPK1RECQL
SCHEMBL2622613 0.76 MAOB (0.70) MAPTNPC1POLBMAPK1RECQL
SCHEMBL11451994 0.75 HDAC3 (0.59) APPNFE2L2AHRMAOBMAOA
SCHEMBL2622607 0.75 HDAC3 (0.59) APPNFE2L2AHRMAOBMAOA
SCHEMBL8064186 0.74 CMA1 (0.61) MAPTNPC1POLBMAPK1RECQL
SCHEMBL18416524 0.74 MAOB (0.67) MAPTNPC1POLBMAPK1RECQL

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
WO-2016077793-A1 SOS1 INHIBITORS FOR CANCER TREATMENT CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-05-19 — — WO disclosed
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