SCHEMBL2856256

SCHEMBL2856256

O=C(O)c1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KEAP1 Q14145 4/20 0.47
NFE2L2 Q16236 4/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 3/20 0.42
MALT1 Q9UDY8 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL20265293 0.86 POLB (0.56) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL2855124 0.85 KDM4E (0.47) MAPTSMN1; SMN2POLBKMT2AKDM4E
SCHEMBL2848347 0.84 GAA (0.51) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL2854304 0.82 NPC1 (0.49) MAPTSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL11641804 0.82 TSHR (0.43) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL11387868 0.82 TSHR (0.43) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL2856308 0.81 SPR (0.51) KDM4EALDH1A1RAB9AMALT1NPC1
SCHEMBL24802622 0.80 MAPT (0.69) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL2299344 0.80 MAPT (0.69) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL30785613 0.79 MAPT (0.68) MAPTSMN1; SMN2POLBMEN1KMT2A

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed