SCHEMBL11720165

SCHEMBL11720165

CCCS(=O)(=O)Nc1ccc(OC(=O)NC)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BRAF P15056 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CBX7 O95931 1/20 0.37

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
SCHEMBL11718627 0.93 MRGPRX1 (0.47) BRD4MRGPRX1
SCHEMBL11724512 0.91 CBX7 (0.42) BRD4PTGS1PTGS2MRGPRX1KDM4E
SCHEMBL11721266 0.86 FFAR4 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2CBX7
SCHEMBL11721087 0.83 MAPT (0.40) BRD4PTGS1PTGS2KDM4EGAA
SCHEMBL11728054 0.82 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL11720668 0.81 ALDH1A1 (0.50) ALDH1A1
SCHEMBL11726451 0.81 BRD4 (0.44) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL11720273 0.80 MAPT (0.43) PTGS1PTGS2MRGPRX1MAPTALDH1A1
SCHEMBL11724505 0.77 HPGD (0.41) MRGPRX1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL11719590 0.77 MRGPRX1 (0.42) MRGPRX1

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-4051254-A SULFONAMIDO-AND AMIDOPHENYL N-METHYLCARBAMATES AND USE AS INSECTICIDES MOBIL OIL CORPORATION (US) 1977-09-27 US disclosed