SCHEMBL11190828

SCHEMBL11190828

CCCCCCc1ccc(-c2ncc3c(n2)CCC(CCC)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 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
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37

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
SCHEMBL11180145 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11188246 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11183328 0.99 RAB9A (0.46) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11189092 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11177537 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11181422 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11183785 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11181386 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11192739 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11175055 0.96 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E

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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