SCHEMBL29782530

SCHEMBL29782530

Cc1c(-c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ GFER P55789 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ CA12 O43570 4/20 0.45
▸ PTGS2 P35354 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ GRM2 Q14416 1/20 0.43

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
SCHEMBL20916386 1.00 MAPT (0.47) MAPTRAB9ANPC1HPGDGFER
SCHEMBL20916370 0.82 GRM2 (0.49) MAPTRAB9ANPC1CYP2C9KMT2A
SCHEMBL12310543 0.73 MAPK1 (0.51) MAPTRAB9ANPC1HPGDALDH1A1
SCHEMBL20916401 0.71 MAPT (0.46) MAPTRAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL19551760 0.71 CA12 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29782343 0.71 MAPT (0.46) MAPTRAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL29718815 0.69 PTGS2 (0.51) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL19552387 0.69 PTGS2 (0.51) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL19552590 0.69 P2RX4 (0.56) ALDH1A1
SCHEMBL20916434 0.69 CA12 (0.42) MAPTCYP3A4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114984003-B Aromatic sulfonamide derivatives 拜耳制药股份公司 2024-08-27 — — CN disclosed
CN-115054600-B Aromatic sulfonamide derivatives 拜耳制药股份公司 2024-06-14 — — CN disclosed
CN-115054600-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2022-09-16 — — CN disclosed
CN-114984003-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2022-09-02 — — CN disclosed
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