SCHEMBL9123724

SCHEMBL9123724

CCOC(=O)Nc1cc(NS(C)(=O)=O)c(Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRPF1 P55201 2/20 0.42
BPTF Q12830 2/20 0.41
TRIM24 O15164 1/20 0.41
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
TAF1 P21675 1/20 0.41
BRD2 P25440 1/20 0.41
SMARCA4 P51532 1/20 0.41
BRDT Q58F21 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
PBRM1 Q86U86 1/20 0.41
TAF1L Q8IZX4 1/20 0.41
CREBBP Q92793 1/20 0.41
KAT2B Q92831 1/20 0.41
CECR2 Q9BXF3 1/20 0.41

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
SCHEMBL9120354 0.90 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8699002 0.86 PIK3C3 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7220721 0.82 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8697533 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL24170851 0.81 SMN1; SMN2 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8084401 0.80 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24961026 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9123011 0.78 RECQL (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL25047377 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9407131 0.76 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496595-B1 Aniline derivatives and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1995-09-06 EP disclosed
US-5416236-A Sulfonylation, reduction and carbamylation in multistage process NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-16 US disclosed
EP-0496595-A1 Aniline derivatives and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1992-07-29 EP disclosed