SCHEMBL9637358

SCHEMBL9637358

CCCCCCc1cnc(-c2ccc(-c3ccc(CCC)cc3)cc2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
RAB9A P51151 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 3/20 0.72
HSD17B10 Q99714 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
KDM4E B2RXH2 2/20 0.72
USP2 O75604 1/20 0.72
GAA P10253 1/20 0.72
HPGD P15428 1/20 0.72
RARB P10826 6/20 0.67
RARA P10276 1/20 0.54
MTOR P42345 1/20 0.54
NPC1 O15118 2/20 0.52
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL7059794 1.00 MAPT (0.72) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7900524 0.97 RAB9A (0.71) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7908259 0.97 RAB9A (0.71) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9229470 0.97 MAPT (0.77) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6665924 0.97 MAPT (0.77) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9636394 0.97 MAPT (0.77) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8596123 0.97 MAPT (0.77) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9227943 0.97 MAPT (0.77) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9637558 0.97 MAPT (0.77) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9636397 0.97 MAPT (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306917-B1 A NEMATIC LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1992-06-17 EP disclosed
US-4917818-A STEEP VOLTAGE TRANSMITTANCE USED IN WATCHES, ELECTRONIC CALCULATORS CHISSO CORPORATION (JP) 1990-04-17 US disclosed
EP-0306917-A2 A nematic liquid crystal composition CHISSO CORPORATION (JP) 1989-03-15 EP disclosed