SCHEMBL31374276

SCHEMBL31374276

N#Cc1cc(Cl)cc([N+](=O)[O-])c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.60
▸ MAPT P10636 3/20 0.41
▸ GRIA1 P42261 2/20 0.41
▸ GRIA2 P42262 2/20 0.41
▸ GRIA3 P42263 2/20 0.41
▸ GRIA4 P48058 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 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
SCHEMBL31419521 0.82 VCAM1 (0.64) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11504122 0.82 VCAM1 (0.64) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL31374260 0.79 VCAM1 (0.60) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16096964 0.79 VCAM1 (0.60) VCAM1MAPTGPR35POLBHPGD
SCHEMBL23118050 0.79 VCAM1 (0.60) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL25422898 0.76 ALDH1A1 (0.54) VCAM1CYP1A2GPR35TDP1ALDH1A1
SCHEMBL11388392 0.76 VCAM1 (0.47) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL1343562 0.75 VCAM1 (1.00) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL1028184 0.75 VCAM1 (0.74) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16098875 0.74 VCAM1 (0.58) VCAM1MAPTCYP1A2HPGDTDP1

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-119490423-A Method for preparing 2-fluoro-3-aminobenzoic acid and ester compound thereof 沈阳中化农药化工研发有限公司 2025-02-21 — — CN disclosed
WO-2025036384-A1 METHOD FOR PREPARING 2-CHLORO-3-AMINOBENZOIC ACID AND ESTER COMPOUND THEREOF 沈阳中化农药化工研发有限公司 2025-02-20 — — WO disclosed
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