SCHEMBL8431389

SCHEMBL8431389

Clc1ccccc1Nc1nnnc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
IGF1R P08069 1/20 0.43
PDE5A O76074 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
EGFR P00533 1/20 0.39
AURKA O14965 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39

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
Dyrene SCHEMBL8201015 0.77 TSHR (0.75) TSHRIGF1RSMN1; SMN2KMT2AKDM4E
SCHEMBL8644581 0.76 MEN1 (0.38) KMT2ANPC1RAB9A
SCHEMBL8644576 0.76 MEN1 (0.38) KMT2ANPC1RAB9A
SCHEMBL31498989 0.71 TSHR (0.60) TSHRIGF1RADRA2AADRA2BADRA2C
SCHEMBL1686517 0.71 TSHR (0.60) TSHRIGF1RADRA2AADRA2BADRA2C
SCHEMBL18796286 0.69 PDE5A (0.54) TSHRIGF1RPDE5ATTBK1TTBK2
SCHEMBL10758783 0.68 GAA (0.47) SMN1; SMN2KMT2AKDM4EEGFRHSD17B10
SCHEMBL7948968 0.66 TSHR (0.42) TSHRSMN1; SMN2ADRA2AKMT2AAURKA
SCHEMBL839219 0.66 TTBK1 (0.57) TSHRIGF1RTTBK1TTBK2SMN1; SMN2
SCHEMBL10480015 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959125-A1 Cleaning, polishing and preserving agent Pingo-Erzeugnisse Welsch & Kuffner GmbH (DE) 1999-11-24 EP disclosed
EP-0859549-A1 HARMFUL FUNGI CONTROL WITH AN ACTIVE SUBSTANCE INHIBITING RESPIRATION BY INHIBITING THE CYTOCHROME COMPLEX III, COMBINED WITH AN AMIDE BASF AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed
WO-1997010716-A1 HARMFUL FUNGI CONTROL WITH AN ACTIVE SUBSTANCE INHIBITING RESPIRATION BY INHIBITING THE CYTOCHROME COMPLEX III, COMBINED WITH AN AMIDE BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed