SCHEMBL11181517

SCHEMBL11181517

CCCOc1ccc(-c2ncc3c(n2)CCC(C)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ACACB O00763 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL11189087 0.95 MAPT (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11176051 0.93 MAPT (0.47) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11181130 0.92 MAPT (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL11179891 0.92 MAPT (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL11184440 0.92 MAPT (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL11189628 0.90 SMN1; SMN2 (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11182727 0.87 RAB9A (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11177692 0.86 RAB9A (0.40) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11184224 0.85 HRH2 (0.51) MAPTMEN1KMT2ANPC1HRH2
SCHEMBL11183050 0.85 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A

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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