SCHEMBL11184698

SCHEMBL11184698

CCCCCCCCCC1CCc2nc(-c3ccc(F)cc3)ncc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGPL1 O95470 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C8 P10632 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11184337 1.00 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11189311 1.00 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11187790 1.00 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11185715 1.00 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11178865 0.99 SGPL1 (0.37) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11180423 0.95 SGPL1 (0.34) SGPL1S1PR1AXLMERTKRAB9A
SCHEMBL11188997 0.91 HDAC9 (0.37) RAB9ASMN1; SMN2HTR2AHDAC9TNKS2
SCHEMBL11184737 0.90 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11177552 0.90 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4
SCHEMBL11186541 0.90 SGPL1 (0.39) SGPL1S1PR1GAAMAPTCYP3A4

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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