SCHEMBL11765858

SCHEMBL11765858

Cc1cccc(SOC(N)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL28076496 0.85 MAPT (0.38) MAPTALDH1A1HSD17B10GAAPOLB
SCHEMBL20665025 0.72 TRPA1 (0.39) MAPTALDH1A1NOTUMTRPA1ATM
SCHEMBL28921705 0.71 ALDH1A1 (0.42) MAPTALDH1A1HSD17B10NOTUMTRPA1
SCHEMBL29589002 0.71 HTR1A (0.53) MAPTALDH1A1NOTUMTRPA1ATM
SCHEMBL576045 0.71 HTR1A (0.53) MAPTALDH1A1NOTUMTRPA1ATM
SCHEMBL29687933 0.71 HTR1A (0.53) MAPTALDH1A1NOTUMTRPA1ATM
Carbamic Acid SCHEMBL11035925 0.69 TRPA1 (0.50) MAPTALDH1A1HSD17B10TRPA1ATM
SCHEMBL9869690 0.68 MAPT (0.44) MAPTALDH1A1HSD17B10TRPA1ATM
SCHEMBL29053925 0.68 ALDH1A1 (0.38) MAPTALDH1A1HSD17B10GAANPC1
SCHEMBL473084 0.68 POLB (0.56) MAPTALDH1A1TRPA1ATMGAA

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-3997549-A INSECTICIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-12-14 — — US disclosed
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