SCHEMBL9817347

SCHEMBL9817347

Cc1ccc(NC(=O)c2cc(C)on2)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
NPC1 O15118 5/20 0.66
RAB9A P51151 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HTT P42858 3/20 0.66
TP53 P04637 2/20 0.66
GLA P06280 1/20 0.66
MAPT P10636 3/20 0.59
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL13321368 0.87 NPC1 (0.64) GAANPC1RAB9AALDH1A1HTT
SCHEMBL19376953 0.85 MAPT (0.57) GAANPC1RAB9AALDH1A1HTT
SCHEMBL25206621 0.81 ALDH1A1 (0.59) GAANPC1RAB9AALDH1A1HTT
SCHEMBL8267184 0.81 HTT (0.74) GAANPC1RAB9AALDH1A1HTT
SCHEMBL9512988 0.80 MAPT (0.65) GAANPC1RAB9AALDH1A1HTT
SCHEMBL10192186 0.80 NPC1 (1.00) GAANPC1RAB9AALDH1A1HTT
SCHEMBL10009062 0.78 GAA (0.65) GAANPC1RAB9AALDH1A1HTT
SCHEMBL24025346 0.78 MAPT (0.58) GAANPC1RAB9AALDH1A1HTT
SCHEMBL8267173 0.77 NPC1 (0.90) GAANPC1RAB9AALDH1A1HTT
SCHEMBL25257220 0.77 MAPT (0.56) GAANPC1RAB9AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059614-A NOVEL ISOXAZOLE AND ISOXAZOLINE COMPOUNDS WITH ANTICONVULSANT ACTIVITY PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM NOVAPHARME (FR) 1991-10-22 US disclosed