SCHEMBL9285207

SCHEMBL9285207

O=C(O)C1CCCN1c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
USP2 O75604 2/20 0.62
POLB P06746 2/20 0.62
TNNI3 P19429 1/20 0.62
TNNT2 P45379 1/20 0.62
TNNC1 P63316 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
THRB P10828 1/20 0.55
S100A4 P26447 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
GSTP1 P09211 5/20 0.46
GSTM2 P28161 5/20 0.46
HRH3 Q9Y5N1 2/20 0.43
MYC P01106 3/20 0.42
MAX P61244 1/20 0.42
SERPINE1 P05121 1/20 0.42

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
SCHEMBL9282541 0.89 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL29443251 0.89 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL9282535 0.89 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3040278 0.83 MEN1 (0.61) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6636721 0.82 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6636717 0.81 MEN1 (0.58) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL12383575 0.80 MEN1 (0.49) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL15101231 0.80 KMT2A (0.67) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3505138 0.77 MEN1 (1.00) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL7978483 0.76 SMN1; SMN2 (0.68) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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
JP-7188224-A None JP disclosed
JP-H07188224-A NEW OPTICALLY ACTIVE (R)-(+)-AND (S)-(-)-4-(2-CHLOROFORMYLPYRROLIDIN-1-YL)-7-NITRO-2,1,3-BENZOXAZIAZOLE TOKYO KASEI KOGYO KK 1995-07-25 JP disclosed