SCHEMBL9385677

SCHEMBL9385677

Cn1cc([N+](=O)[O-])nc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.38
PKM P14618 1/20 0.38
SOS1 Q07889 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3287960 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMITFPKMSOS1
Lithium SCHEMBL30668131 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMITFPKMSOS1
SCHEMBL30668083 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMITFPKMSOS1
SCHEMBL5231541 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AMITFPKMSOS1
SCHEMBL5313447 0.80 MITF (0.40) ALDH1A1KMT2AMITFPKMKDM4E
SCHEMBL9385579 0.76 ALDH1A1 (0.36) ALDH1A1KMT2AMITFPKML3MBTL1
SCHEMBL1594419 0.76 MITF (0.52) ALDH1A1KMT2AMITFPKML3MBTL1
Hydrochloric Acid SCHEMBL5741754 0.75 MITF (0.51) ALDH1A1KMT2AMITFPKML3MBTL1
SCHEMBL19674728 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMITFPKMSOS1
SCHEMBL63286 0.72 ALDH1A1 (0.59) ALDH1A1KMT2AMITFPKMSOS1

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-1994003434-A1 IMIDAZOLE-CONTAINING ANALOGS OF DISTAMYCIN RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-02-17 WO disclosed
US-5273991-A Anticarcinogenic agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-12-28 US disclosed