SCHEMBL31037856

SCHEMBL31037856

COc1ccc(Nc2ccc(N)c3c2C(=O)c2c(O)ccc([N+](=O)[O-])c2C3=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MAPT P10636 6/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ IDO1 P14902 1/20 0.48
▸ ALDH3A1 P30838 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46

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
SCHEMBL11785311 1.00 CYP3A4 (0.61) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL13658592 0.93 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL10816415 0.90 CSNK2A2 (0.53) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11784354 0.86 CYP3A4 (0.54) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11416802 0.82 MAPT (0.50) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL10400673 0.81 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL1993642 0.80 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11117743 0.80 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11039315 0.80 HPGD (0.80) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL10356105 0.80 HPGD (0.80) CYP3A4TSHRHIF1ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530188-A Modifier condensate and preparation method and application thereof, and method for preparing modified polymer 中国石油化工股份有限公司 2024-08-23 — — CN claimed
EP-4644463-A9 COLORED NYLON AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF China Petroleum & Chemical Corporation (CN) 2025-12-17 — — EP disclosed
EP-4644463-A1 COLORED NYLON AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF China Petroleum & Chemical Corporation (CN) 2025-11-05 — — EP disclosed
CN-118530188-A Modifier condensate and preparation method and application thereof, and method for preparing modified polymer 中国石油化工股份有限公司 2024-08-23 — — CN disclosed
WO-2024160205-A1 COLORED NYLON AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国石油化工股份有限公司 2024-08-08 — — WO disclosed
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