SCHEMBL8460416

SCHEMBL8460416

O=C(Nc1ccccc1)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1OCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
PPARG P37231 2/20 0.46
CNR1 P21554 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPT P10636 2/20 0.44
SMO Q99835 1/20 0.44
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PNLIP P16233 1/20 0.43
STK39 Q9UEW8 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL8469626 0.93 CHRNB2 (0.48) TMPRSS4PPARGMEN1KMT2ACYP2C19
SCHEMBL1648370 0.81 GPR27 (0.53) TMPRSS4PPARGMEN1KMT2ACYP2C19
SCHEMBL8469266 0.76 SMO (0.56) MEN1KMT2AMAPTSMOKDM4E
SCHEMBL7761587 0.76 GPR27 (0.47) TMPRSS4MEN1KMT2AMAPTSMO
SCHEMBL28017780 0.75 SMO (0.55) MEN1KMT2AMAPTSMOKDM4E
SCHEMBL7760288 0.75 CHRNB2 (0.55) TMPRSS4CNR1MEN1KMT2AMAPT
SCHEMBL649648 0.71 PPARG (0.49) TMPRSS4PPARGMEN1KMT2ACYP2C19
SCHEMBL2227567 0.71 MEN1 (0.76) TMPRSS4MEN1KMT2ACYP2C19MAPT
SCHEMBL10612716 0.71 TMPRSS4 (0.73) TMPRSS4PPARGMEN1KMT2ACYP2C19
SCHEMBL28388092 0.71 MEN1 (0.65) TMPRSS4MEN1KMT2AKDM4EPNLIP

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
WO-1999039575-A9 SYNERGISTIC BIOCIDAL ACTIVITY OF TERNARY COMPLEXES OF NEGATIVELY -CHARGED BIOCIDES (COMPONENT A), TRANSITION METAL IONS (COMPONENT B), AND NEUTRAL CHELATORS (COMPONENT C) YISSUM RES DEV CO (IL) 1999-10-21 WO claimed
WO-1999039575-A2 SYNERGISTIC BIOCIDAL ACTIVITY OF TERNARY COMPLEXES OF NEGATIVELY -CHARGED BIOCIDES (COMPONENT A), TRANSITION METAL IONS (COMPONENT B), AND NEUTRAL CHELATORS (COMPONENT C) YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-08-12 WO claimed