SCHEMBL9053696

SCHEMBL9053696

CCCCCCCCCCc1cnc(-c2ccc(CCC[C@@H](F)CCCCCC)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ RARB P10826 6/20 0.58
▸ NPC1 O15118 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ RARA P10276 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL9053700 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8402273 0.96 MAPT (0.60) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8402286 0.96 MAPT (0.60) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8402275 0.96 MAPT (0.60) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10701687 0.92 MAPT (0.59) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9361642 0.92 MAPT (0.59) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9850258 0.87 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9850155 0.87 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9723153 0.87 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9850122 0.87 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10

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-8143489-A — — None — — JP disclosed
JP-H08143489-A OPTICALLY ACTIVE COMPOUND HAVING 4-FLUOROALKYL GROUP AND LIQUID CRYSTAL COMPOSITION DAINIPPON INK & CHEM INC 1996-06-04 — — JP disclosed
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