SCHEMBL11186255

SCHEMBL11186255

CCCCCc1ccc(-c2ncc3c(n2)CCC(C)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ RARB P10826 5/20 0.40
▸ SPHK2 Q9NRA0 9/20 0.38
▸ SPHK1 Q9NYA1 5/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36

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
SCHEMBL11185614 0.99 MAPT (0.50) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11184525 0.99 MAPT (0.50) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11192128 0.99 MAPT (0.50) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11185992 0.96 RAB9A (0.43) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11187493 0.92 LMNA (0.37) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11187558 0.87 RAB9A (0.47) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11184666 0.87 CDK5 (0.39) RAB9AKDM4EMAPTNPC1
SCHEMBL11180736 0.86 MAPT (0.49) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11187834 0.86 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11183328 0.86 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4402849-A DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-09-06 — — US disclosed
EP-0031021-B1 TETRAHYDROQUINAZOLINES, PROCESS FOR THEIR PREPARATION, LIQUID CRYSTALLINE DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1983-05-18 — — EP disclosed
EP-0031021-A1 Tetrahydroquinazolines, process for their preparation, liquid crystalline dielectrics containing them and electro-optical display element MERCK PATENT GmbH (DE) 1981-07-01 — — EP disclosed
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