SCHEMBL11684608

SCHEMBL11684608

Cc1ccc2c(c1)N=CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL926543 0.83 SMN1; SMN2 (0.34) SMN1; SMN2GAAHTTTDP1TP53
SCHEMBL3849541 0.78 TRPA1 (0.31) TRPA1
SCHEMBL926937 0.71 HTR5A (0.35) TDP1CASP3RAB9AATMNPSR1
SCHEMBL29639106 0.71 HTR5A (0.35) TDP1CASP3RAB9AATMNPSR1
Iodide SCHEMBL29258426 0.70 HTR5A (0.37) TDP1CASP3RAB9AATMNPSR1
Hydrochloric Acid SCHEMBL30881482 0.70 HTR5A (0.34) TDP1CASP3RAB9AATMNPSR1
SCHEMBL14586408 0.65 BACE1 (0.33) HTTALDH1A1LMNA
SCHEMBL7931948 0.64 TDP1 (0.40) SMN1; SMN2HTTTDP1TP53CYP3A4
SCHEMBL9445185 0.63 TERT (0.38) SMN1; SMN2GAATDP1TP53CYP3A4
SCHEMBL17533022 0.63 SMN1; SMN2 (0.39) SMN1; SMN2GAAHTTTDP1TP53

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-4018610-A Supersensitized silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1977-04-19 US disclosed