SCHEMBL31172072

SCHEMBL31172072

C[C@@H](N)COCc1cc([N+](=O)[O-])c2cnn(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.36
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30

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
SCHEMBL22412040 1.00 CREBBP (0.36) CREBBPLMNAHTTALDH1A1CYP1A2
SCHEMBL22412042 1.00 CREBBP (0.36) CREBBPLMNAHTTALDH1A1CYP1A2
SCHEMBL22411874 0.83 CREBBP (0.37) CREBBPLMNAHTTALDH1A1CYP1A2
SCHEMBL28665584 0.80 CREBBP (0.35) CREBBPCYP3A4CYP2C9GAAMEN1
SCHEMBL29684374 0.79 PPARA (0.35) CREBBPGAAMEN1KMT2A
SCHEMBL28665586 0.79 PPARA (0.35) CREBBPGAAMEN1KMT2A
SCHEMBL22411925 0.76 CREBBP (0.46) CREBBPLMNAHTTALDH1A1CYP1A2
SCHEMBL22411798 0.76 CREBBP (0.43) CREBBPLMNAHTTALDH1A1CYP1A2
SCHEMBL24496971 0.71 ALDH1A1 (0.36) LMNAHTTALDH1A1CYP1A2CYP2C19
SCHEMBL29711836 0.71 ALDH1A1 (0.36) LMNAHTTALDH1A1CYP1A2CYP2C19

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-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 — — CN disclosed
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