SCHEMBL11185992

SCHEMBL11185992

CCCCc1ccc(-c2ncc3c(n2)CCC(C)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 3/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL11186255 0.96 RAB9A (0.48) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11184525 0.95 MAPT (0.50) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11192128 0.95 MAPT (0.50) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11185614 0.95 MAPT (0.50) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11187493 0.93 LMNA (0.37) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11184666 0.88 CDK5 (0.39) RAB9AMAPTKDM4ENPC1LMNA
SCHEMBL11187055 0.87 RAB9A (0.42) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11188041 0.86 RAB9A (0.41) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11181103 0.86 RAB9A (0.41) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11189087 0.86 MAPT (0.48) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E

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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