SCHEMBL6581989

SCHEMBL6581989

O=C(O)c1nnnn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
P2RY14 Q15391 1/20 0.44
CYP19A1 P11511 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 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
SCHEMBL18839935 0.85 TGM2 (0.48) TGM2MEN1KMT2AP2RY14CYP19A1
SCHEMBL18839820 0.82 PDE4A (0.53) TGM2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6577327 0.81 HPGD (0.54) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL11271744 0.79 HPGD (0.53) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL6582001 0.76 ERCC5 (0.65) RAB9AALDH1A1LMNAHTTERCC5
SCHEMBL6580247 0.76 CYP1A2 (0.46) TGM2MEN1KMT2ATDP1KDM4E
SCHEMBL10959710 0.75 KMT2A (0.49) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL27514124 0.74 P2RX7 (0.62) MEN1KMT2ACYP19A1SMN1; SMN2ALDH1A1
SCHEMBL11778252 0.74 RAB9A (0.46) TDP1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL27848903 0.73 TGM2 (0.50) TGM2MEN1KMT2AP2RY14CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed