SCHEMBL11117660

SCHEMBL11117660

Cc1ccccc1-c1cccc(C)c1N=C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
CYP3A4 P08684 3/20 0.44
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.36
TRPA1 O75762 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MYC P01106 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR7 P34969 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL1133364 0.94 GABRA1 (0.50) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL6866459 0.87 CYP3A4 (0.53) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL374209 0.83 GABRA1 (0.56) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL28823318 0.79 CYP3A4 (0.42) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL7585388 0.78 CYP3A4 (0.55) GABRA1GABRB2CYP3A4BRD4TRPA1
SCHEMBL28201284 0.78 GABRA1 (0.50) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL15550451 0.78 GABRA1 (0.40) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL6568849 0.78 CYP3A4 (0.46) GABRA1GABRB2CYP3A4BRD4TRPA1
SCHEMBL20145 0.76 CYP3A4 (0.63) GABRA1GABRB2CYP3A4POLBTRPA1
SCHEMBL30520271 0.76 CYP3A4 (0.63) GABRA1GABRB2CYP3A4POLBTRPA1

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
EP-4213628-A1 PYRETHROID IN-CAN ADJUVANTED SUSPENSION CONCENTRATES Bayer Aktiengesellschaft (DE) 2023-07-26 EP disclosed
EP-0035072-B1 DUROPLASTICALLY HARDENABLE RESIN MIXTURE FREE OF SOLVENTS, AND ITS USE BBC Aktiengesellschaft Brown, Boveri & Cie. (CH) 1984-06-13 EP disclosed