SCHEMBL30860915

SCHEMBL30860915

Cc1cc([N+](=O)[O-])c2cnn(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.47
▸ CYP3A4 P08684 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 3/20 0.41

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
SCHEMBL27227845 1.00 CREBBP (0.47) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL1780298 0.83 CREBBP (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL27227902 0.83 CREBBP (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL27227910 0.79 CREBBP (0.49) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL22411798 0.79 CREBBP (0.43) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL27227826 0.79 VCAM1 (0.47) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL14272018 0.79 CREBBP (0.75) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL22411925 0.79 CREBBP (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL10596779 0.78 HPRT1 (0.46) CREBBPCYP3A4LMNAHTTALDH1A1
SCHEMBL15910918 0.78 ERN1 (0.56) CREBBPCYP3A4LMNAHTTALDH1A1

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
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
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