SCHEMBL11101428

SCHEMBL11101428

Clc1cc(Nc2ccccc2Cl)nc(Cl)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
TSHR P16473 2/20 0.58
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
PPARG P37231 1/20 0.40
RXRG P48443 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL31484248 0.79 KMT2A (0.50) KMT2ATSHRMEN1ATMNPC1
SCHEMBL14428206 0.78 KMT2A (0.55) KMT2ATSHRMEN1NPC1RAB9A
SCHEMBL10997703 0.77 PPARA (0.58) KMT2AMEN1RXRARXRBPPARG
SCHEMBL2409143 0.76 KMT2A (0.84) KMT2ATSHRMEN1ATMNPC1
SCHEMBL15492037 0.75 AURKA (0.53) KMT2ATSHRIGF1RAURKA
SCHEMBL27464993 0.74 TSHR (0.51) KMT2ATSHRMEN1ATMNPC1
SCHEMBL4595845 0.74 KMT2A (0.48) KMT2ATSHRMEN1NPC1RAB9A
Dyrene SCHEMBL1903290 0.73 TSHR (1.00) KMT2ATSHRMEN1NPC1RAB9A
Dyrene SCHEMBL29364667 0.73 TSHR (1.00) KMT2ATSHRMEN1NPC1RAB9A
Dyrene SCHEMBL8166670 0.73 TSHR (1.00) KMT2ATSHRMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100448-A1 Liquid, active agent formulations and their use in preparing micro-emulsions A. Nattermann & Cie. GmbH (DE) 1984-02-15 EP disclosed