SCHEMBL11192402

SCHEMBL11192402

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ RARB P10826 2/20 0.39
▸ SGPL1 O95470 1/20 0.37
▸ S1PR1 P21453 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
SCHEMBL11189442 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11180607 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11184526 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11181422 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11183785 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11175055 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11189092 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11192739 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11181386 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1
SCHEMBL11177537 0.99 MEN1 (0.48) RAB9AKDM4EMEN1USP2ALDH1A1

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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