SCHEMBL6772234

SCHEMBL6772234

O=C(O)Cc1nc(=O)c([N+](=O)[O-])cn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
HPN P05981 1/20 0.41
FGFR1 P11362 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
SCN2A Q99250 1/20 0.40
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
TP53 P04637 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL5847822 0.74 LPAR3 (0.43) CYP1A2HPNFGFR1MEN1KMT2A
SCHEMBL8511047 0.70 PDE4B (0.62) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5846757 0.68 HPN (0.49) HPNFGFR1MEN1KMT2AALDH1A1
SCHEMBL5848942 0.66 PDE4B (0.43) HPNMEN1KMT2AALDH1A1POLB
SCHEMBL2651119 0.66 TSHR (0.61) CYP1A2ALDH1A1SMN1; SMN2CYP2C9HPGD
SCHEMBL296300 0.66 TSHR (0.61) CYP1A2ALDH1A1SMN1; SMN2CYP2C9HPGD
SCHEMBL27484245 0.65 FGFR1 (0.50) HPNFGFR1MEN1KMT2AALDH1A1
SCHEMBL3535123 0.65 GPR35 (0.54) CYP1A2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL2532656 0.64 TSHR (0.59) CYP1A2ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10771123 0.64 MAPK14 (0.56) CYP1A2HPNMEN1KMT2AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716838-B1 INHIBITORS OF SERINE PROTEASES OF THE COAGULATION CASCADE PHARMACIA CORPORATION 2004-04-06 US disclosed