SCHEMBL11076213

SCHEMBL11076213

O=C(O)Cc1nn(-c2ccc(F)cc2)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.49
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 1/20 0.40
EIF4E P06730 3/20 0.40
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.38
P2RX7 Q99572 1/20 0.38
AVPR1B P47901 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL11077918 0.88 RAB9A (0.49) KMT2AKDM4EMEN1ALDH1A1HTT
Pirazolac SCHEMBL153631 0.87 KDM4E (0.51) KMT2AKDM4EMEN1ALDH1A1HTT
Pirazolac SCHEMBL10952997 0.86 KDM4E (0.50) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL11764061 0.83 KDM4E (0.50) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL11765077 0.82 RPA1 (0.46) PPP1CAKDM4EALDH1A1HTTDRD2
SCHEMBL11399779 0.82 RAB9A (0.44) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL11073884 0.81 CNR1 (0.43) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL10880429 0.81 KMT2A (0.48) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL11764727 0.80 RAB9A (0.64) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL11443525 0.80 KDM4E (0.56) KMT2AKDM4EALDH1A1DRD2RAB9A

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