SCHEMBL11187558

SCHEMBL11187558

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ RARB P10826 2/20 0.39
▸ SPHK2 Q9NRA0 10/20 0.37
▸ SPHK1 Q9NYA1 5/20 0.37
▸ NPC1 O15118 2/20 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
SCHEMBL11182658 0.99 MAPT (0.49) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11180736 0.99 MAPT (0.49) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11179956 0.99 MAPT (0.49) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11187055 0.97 RAB9A (0.42) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11187834 0.92 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11192402 0.92 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11183328 0.92 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11191347 0.92 MCHR1 (0.37) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11181422 0.91 MEN1 (0.48) RAB9ASMN1; SMN2KDM4EMEN1USP2
SCHEMBL11189092 0.91 MEN1 (0.48) 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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