SCHEMBL9749274

SCHEMBL9749274

CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP19A1 P11511 9/20 0.47
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.42
▸ TBXA2R P21731 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MLNR O43193 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS1 P23219 1/20 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
SCHEMBL9749499 0.85 CRHBP (0.52) LMNAALDH1A1MEN1KMT2ACYP19A1
SCHEMBL13059466 0.82 MAPT (0.49) LMNAALDH1A1MEN1KMT2ACYP19A1
SCHEMBL10502068 0.82 NT5E (0.51) LMNAALDH1A1MEN1KMT2ACYP19A1
SCHEMBL9748282 0.79 CYP3A4 (0.49) LMNAALDH1A1MEN1KMT2ACYP19A1
SCHEMBL10422313 0.77 NHERF1 (0.55) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL9750234 0.77 L3MBTL1 (0.39) LMNAALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL10892147 0.77 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ACYP19A1
Hydrochloric Acid SCHEMBL10892135 0.76 ALDH1A1 (0.56) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22499569 0.74 MAPT (0.55) LMNAALDH1A1MEN1KMT2ACYP19A1
SCHEMBL29385190 0.74 MAPT (0.55) LMNAALDH1A1MEN1KMT2ACYP19A1

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
EP-0205079-B1 ACID DISULFIMIDE TRIPHENODIOXAZINE DYES BAYER AG (DE) 1992-01-22 — — EP disclosed
EP-0205079-A2 Acid disulfimide triphenodioxazine dyes BAYER AG (DE) 1986-12-17 — — EP disclosed
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