SCHEMBL11189628

SCHEMBL11189628

CCOc1ccc(-c2ncc3c(n2)CCC(C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 7/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ XDH P47989 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.36
▸ RAB9A P51151 7/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 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
SCHEMBL11181517 0.90 MAPT (0.44) SMN1; SMN2LMNAPOLBNPC1MAPT
SCHEMBL11189087 0.90 MAPT (0.48) SMN1; SMN2LMNANPC1MAPTKDM4E
SCHEMBL11176051 0.88 MAPT (0.47) SMN1; SMN2LMNANPC1MAPTKDM4E
SCHEMBL11181130 0.87 MAPT (0.46) SMN1; SMN2LMNATSHRNPC1MAPT
SCHEMBL11179891 0.87 MAPT (0.46) SMN1; SMN2LMNATSHRNPC1MAPT
SCHEMBL11184440 0.87 MAPT (0.46) SMN1; SMN2LMNATSHRNPC1MAPT
SCHEMBL11184224 0.87 HRH2 (0.51) NPC1MAPTHRH2HRH3MEN1
SCHEMBL11184726 0.86 NPC1 (0.39) SMN1; SMN2NPC1MAPTKDM4EPPARD
SCHEMBL11184666 0.85 CDK5 (0.39) LMNANPC1MAPTKDM4EPPARD
SCHEMBL11183521 0.84 LMNA (0.39) SMN1; SMN2LMNAPOLBNPC1MAPT

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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