SCHEMBL31402001

SCHEMBL31402001

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
VCAM1 P19320 1/20 0.41
TTR P02766 1/20 0.41
KCNMA1 Q12791 2/20 0.40
P2RX1 P51575 1/20 0.40
APP P05067 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL31402002 0.89 TTR (0.41) ALDH1A1TSHRMAPK1HPGDCYP1A2
SCHEMBL28824826 0.89 TTR (0.44) ALDH1A1TSHRMAPK1HPGDCYP1A2
SCHEMBL1461739 0.88 DTYMK (0.42) ALDH1A1TSHRHPGDCYP1A2CYP3A4
SCHEMBL30378797 0.88 DTYMK (0.42) ALDH1A1TSHRHPGDCYP1A2CYP3A4
SCHEMBL9693289 0.82 TSHR (0.48) ALDH1A1TSHRMAPK1HPGDCYP3A4
SCHEMBL1462927 0.82 TDP1 (0.47) MAPK1FLT1KDRSMN1; SMN2VCAM1
SCHEMBL9693389 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1HPGDCYP3A4
SCHEMBL1467467 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HPGDCYP3A4
SCHEMBL25950214 0.74 TSHR (0.41) ALDH1A1TSHRMAPK1HPGDCYP1A2
SCHEMBL20471887 0.74 PDE7A (0.43) ALDH1A1TSHRMAPK1HPGDCYP3A4

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