SCHEMBL9541733

SCHEMBL9541733

CC(C)(C)Nc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ HTT P42858 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ GFER P55789 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL15257085 0.81 MAPT (0.53) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL1464982 0.80 GAA (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL29544600 0.78 HTT (0.62) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL17099508 0.77 MEN1 (0.44) MEN1KMT2AHTTLMNAMAPT
SCHEMBL2122759 0.75 CYP19A1 (0.59) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3010106 0.75 HTT (0.52) KMT2AHTTMAPTALDH1A1HPGD
SCHEMBL19669453 0.74 MAPT (0.51) MEN1KMT2AHTTLMNAMAPT
SCHEMBL1026633 0.73 MAPT (0.50) MEN1KMT2AHTTLMNAMAPT
SCHEMBL1026631 0.73 MAPT (0.50) MEN1KMT2AHTTLMNAMAPT
SCHEMBL28995799 0.73 MAPK1 (0.43) MEN1KMT2AHTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993010119-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-27 — — WO disclosed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 — — EP disclosed
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