SCHEMBL7995197

SCHEMBL7995197

O=C(O)c1c[nH]c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.45
TNKS O95271 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
GUSB P08236 1/20 0.45
NLRP3 Q96P20 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MAPT P10636 4/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL15848507 0.79 MCL1 (0.41) TDP1RAB9AMAPTNPC1CHEK2
SCHEMBL1080850 0.79 PIN1 (0.47) TDP1RAB9ANPC1MAPK1ALDH1A1
SCHEMBL27601952 0.78 NR4A2 (0.46) TNKSTNKS2PARP2CHEK2ALDH1A1
SCHEMBL6026704 0.78 MAPT (0.49) TYMPTDP1RAB9ATNKSTNKS2
SCHEMBL3094332 0.78 TPMT (0.39) TDP1CHEK2MAPK1ALDH1A1KDM4E
SCHEMBL14952963 0.78 NOTUM (0.47) TYMPRAB9ATNKSTNKS2GUSB
SCHEMBL15180532 0.78 ALDH1A1 (0.49) TYMPRAB9ATNKSTNKS2MAPT
Hydrochloric Acid SCHEMBL6861539 0.77 PIN1 (0.46) TDP1RAB9ANPC1MAPK1ALDH1A1
SCHEMBL7145501 0.76 MMP2 (0.51) RAB9ATNKSTNKS2GUSBNLRP3
SCHEMBL4427064 0.74 TUBB4A (0.50) MAPTHTTALDH1A1LMNAGAA

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed