SCHEMBL10339681

SCHEMBL10339681

CCCCCCCc1ccc(-c2cnc(-c3ccc(OCCCC(C)CCC)cc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NPC1 O15118 3/20 0.49
▸ CYP3A4 P08684 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ SLCO1B3 Q9NPD5 1/20 0.45
▸ SLCO1B1 Q9Y6L6 1/20 0.45
▸ RARB P10826 7/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10338239 0.92 NPC1 (0.55) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL10469841 0.90 RAB9A (0.54) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9237674 0.88 RAB9A (0.55) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9752441 0.88 RARB (0.52) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9238778 0.88 RARB (0.52) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL10478072 0.88 RARB (0.54) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL10478075 0.88 RARB (0.54) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL10478170 0.88 RARB (0.54) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9240704 0.88 RAB9A (0.58) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL9435151 0.88 RAB9A (0.63) RAB9ASMN1; SMN2HSD17B10MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2255661-A — — None — — JP disclosed
JP-H02255661-A PYRIMIDINE DERIVATIVE DAINIPPON INK & CHEM INC 1990-10-16 — — JP disclosed
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