SCHEMBL8329574

SCHEMBL8329574

NC(=O)c1cc(-c2cccnc2Cl)n2c1CC(Cl)(Cl)CC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
ADRA1D P25100 1/20 0.32
DHODH Q02127 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAP3K14 Q99558 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7957597 0.81 HPGD (0.37) SMN1; SMN2LMNAADRA1DDHODHRAB9A
SCHEMBL8328584 0.79 MKNK1 (0.44)
SCHEMBL7955658 0.76 MEN1 (0.35) SMN1; SMN2LMNAADRA1DDHODHRAB9A
SCHEMBL7946450 0.74 RAB9A (0.36) SMN1; SMN2LMNAADRA1DDHODHRAB9A
SCHEMBL7954859 0.68 MKNK1 (0.43) SMN1; SMN2DHODHRAB9AKDM4EMAP3K14
SCHEMBL7946519 0.68 PLAU (0.41) LMNADHODHKDM4EPARP1MAPT
SCHEMBL8330014 0.65 SMN1; SMN2 (0.43) SMN1; SMN2LMNADHODHRAB9AKDM4E
SCHEMBL38770 0.63 SMN1; SMN2 (0.68) SMN1; SMN2LMNARAB9AKDM4EPARP1
SCHEMBL30680438 0.63 SMN1; SMN2 (0.68) SMN1; SMN2LMNARAB9AKDM4EPARP1
Hydrochloric Acid SCHEMBL5008498 0.62 SMN1; SMN2 (0.66) SMN1; SMN2LMNARAB9AKDM4EPARP1

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-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed