SCHEMBL31402002

SCHEMBL31402002

O=C(Cl)c1cc(Cl)cc([N+](=O)[O-])c1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
VCAM1 P19320 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.38
HIF1A Q16665 1/20 0.38
KCNMA1 Q12791 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL28824826 0.89 TTR (0.44) TTRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL31402001 0.89 ALDH1A1 (0.43) TTRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL1461739 0.88 DTYMK (0.42) TTRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL30378797 0.88 DTYMK (0.42) TTRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL7902277 0.84 GPR35 (0.47) TTRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL31413031 0.84 GPR35 (0.47) TTRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL9693289 0.82 TSHR (0.48) TTRALDH1A1CYP3A4HPGDTSHR
SCHEMBL1462927 0.82 TDP1 (0.47) FLT1KDRMAPK1VCAM1SMN1; SMN2
SCHEMBL1002537 0.82 GPR35 (0.42) ALDH1A1CYP3A4HPGDTSHRMAPK1
SCHEMBL29007689 0.81 GPR35 (0.38) TTRALDH1A1CYP3A4HPGDTSHR

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
CN-119306607-A 3-Amino-2-fluorobenzamide compound and preparation method thereof 江西天宇化工有限公司 2025-01-14 CN claimed
CN-119306607-A 3-Amino-2-fluorobenzamide compound and preparation method thereof 江西天宇化工有限公司 2025-01-14 CN disclosed