SCHEMBL11189092

SCHEMBL11189092

CCCCCCC1CCc2nc(-c3ccc(CCCCC)cc3)ncc2C1

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
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ RARB P10826 5/20 0.40
▸ SGPL1 O95470 1/20 0.38
▸ S1PR1 P21453 1/20 0.38

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
SCHEMBL11176167 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11180607 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11184526 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11181422 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11175055 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11192739 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11183785 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11177537 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11181386 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11189442 1.00 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 2 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-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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