SCHEMBL8478583

SCHEMBL8478583

CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
SRD5A2 P31213 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 4/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL313211 1.00 TSHR (0.64) TSHRMEN1KMT2AKDM4ENPC1
SCHEMBL29655535 1.00 TSHR (0.64) TSHRMEN1KMT2AKDM4ENPC1
Nitrogen SCHEMBL28140075 0.96 TSHR (0.59) TSHRMEN1KMT2AKDM4ENPC1
Vinyl Chloride SCHEMBL27987346 0.90 TSHR (0.53) TSHRMEN1KMT2AKDM4ENPC1
SCHEMBL30060361 0.85 TSHR (0.57) TSHRMEN1KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL30060358 0.83 TSHR (0.55) TSHRMEN1KMT2AKDM4ENPC1
SCHEMBL11544490 0.83 SCN9A (0.58) TSHRMEN1KMT2AMAPTSRD5A2
SCHEMBL30837205 0.83 SCN9A (0.58) TSHRMEN1KMT2AMAPTSRD5A2
SCHEMBL703716 0.82 HPGD (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11149808 0.82 MAPT (0.44) TSHRMEN1KMT2AKDM4ENPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958920-A ANTICONVULSANTS, ANTIISCHEMIC AGENTS, BRAIN DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-28 US disclosed
US-5856318-A Nitrogen-containing cyclohetero cyclo-heteroaminoaryl derivatives for CNS disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-05 US disclosed
US-5679679-A NERVOUS SYSTEM DISORDERS, ANTIPSYCHOTICS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-21 US disclosed
US-5679673-A ANTICERBERAL ISCHEMIA, ANTIPSYCHOTIC AND ANTICONVULSION AGENT THE UNITED STATES OF AMERICA, REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-21 US disclosed