SCHEMBL11180736

SCHEMBL11180736

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RARB P10826 5/20 0.41
▸ SPHK2 Q9NRA0 10/20 0.39
▸ SPHK1 Q9NYA1 5/20 0.39
▸ RARA P10276 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ ATM Q13315 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
SCHEMBL11182658 1.00 MAPT (0.49) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11179956 1.00 MAPT (0.49) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11187558 0.99 RAB9A (0.47) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11187055 0.95 RAB9A (0.42) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11177537 0.92 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11192739 0.92 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11184526 0.92 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11189092 0.92 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11190828 0.92 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL11188246 0.92 MEN1 (0.48) MAPTMEN1ALDH1A1KMT2ARAB9A

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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