SCHEMBL11078308

SCHEMBL11078308

O=C(O)Cc1nn(-c2ccc(F)cc2)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PTGS1 P23219 1/20 0.43
POLB P06746 2/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
PTGS2 P35354 3/20 0.42
AURKA O14965 2/20 0.42
RAB9A P51151 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
ENPP2 Q13822 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 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
SCHEMBL11764927 0.90 RAB9A (0.52) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11077918 0.89 RAB9A (0.49) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11764061 0.84 KDM4E (0.50) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11399779 0.83 RAB9A (0.44) MEN1KMT2AMAPTLMNAHTT
Pirazolac SCHEMBL153631 0.83 KDM4E (0.51) MEN1KMT2AHTTCA12CA1
Pirazolac SCHEMBL10952997 0.82 KDM4E (0.50) MEN1KMT2AHTTCA12CA1
SCHEMBL11469421 0.82 MAPT (0.43) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11764727 0.81 RAB9A (0.64) MEN1KMT2AHTTPTGS2RAB9A
SCHEMBL11076213 0.78 PPP1CA (0.49) MEN1KMT2AMAPTHTTPTGS2
SCHEMBL11443525 0.76 KDM4E (0.56) KMT2AMAPTLMNACA12CA1

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-0022906-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed
EP-0022906-A1 Process for the preparation of pyrazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed