SCHEMBL31202807

SCHEMBL31202807

O=C(NNc1ccc(C(F)(F)F)cc1)c1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 5/20 0.55
▸ GAA P10253 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.46
▸ CRHBP P24387 1/20 0.44

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
SCHEMBL29168823 0.85 PTGS1 (0.68) RXFP1PTGS1SMN1; SMN2NPC1RAB9A
SCHEMBL21261424 0.80 GAA (0.71) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL11137549 0.80 EPHX2 (0.57) RXFP1MAPTPTGS1SMN1; SMN2NPC1
SCHEMBL11041709 0.78 KMT2A (0.66) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL30602809 0.75 IDO1 (0.46) GAAALDH1A1ALOX12MAPTSMN1; SMN2
SCHEMBL20984340 0.73 EPHX2 (0.59) PTGS1NPC1RAB9ATRPV1EPHX2
SCHEMBL6879918 0.73 MEN1 (0.50) RXFP1GAAALDH1A1SMN1; SMN2NPC1
SCHEMBL31078465 0.72 RORC (0.71) RXFP1MAPTPTGS1SMN1; SMN2NPC1
SCHEMBL28871750 0.72 TLR7 (0.74) SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL15529405 0.72 RXFP1 (0.90) RXFP1MAPTPTGS1

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
CN-119095828-A Indazole compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-12-06 — — CN disclosed
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