SCHEMBL6178765

SCHEMBL6178765

O=C(Cc1ccccc1[N+](=O)[O-])Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.71
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 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
SCHEMBL6177628 0.87 MAPK14 (0.77) MAPK14ALDH1A1KMT2AMEN1RAB9A
SCHEMBL6176676 0.86 MAPK14 (0.76) MAPK14ALDH1A1KMT2AMEN1NPC1
SCHEMBL6175320 0.85 MAPK14 (0.74) MAPK14KMT2AMEN1RORCRAB9A
SCHEMBL6193971 0.84 MAPK14 (0.72) MAPK14KMT2AMEN1CYP2C19SMN1; SMN2
SCHEMBL6178969 0.84 MAPK14 (0.75) MAPK14ALDH1A1KMT2AMEN1POLB
SCHEMBL6177800 0.83 MAPK14 (1.00) MAPK14ALDH1A1POLB
SCHEMBL4331508 0.83 MAPK14 (0.48) MAPK14ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6178962 0.82 MAPK14 (0.89) MAPK14KMT2A
SCHEMBL6180514 0.82 MAPK14 (0.89) MAPK14ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6176666 0.81 MAPK14 (0.76) MAPK14ALDH1A1KMT2AKDM4EMEN1

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-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed