SCHEMBL30728628

SCHEMBL30728628

Clc1nc2c(nc1Cl)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 5/20 0.42
APAF1 O14727 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACHE P22303 6/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 3/20 0.36

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
SCHEMBL16098783 1.00 NSD2 (0.46) NSD2MAPK1SMN1; SMN2KDM4EAPAF1
SCHEMBL14219667 0.97 NSD2 (0.45) NSD2MAPK1SMN1; SMN2KDM4EAPAF1
SCHEMBL25457780 0.97 NSD2 (0.45) NSD2MAPK1SMN1; SMN2KDM4EAPAF1
SCHEMBL14734333 0.81 NPC1 (0.43) NSD2MAPK1SMN1; SMN2KDM4EAPAF1
SCHEMBL2406021 0.78 ACHE (0.53) NSD2MAPK1KDM4EAPAF1ALDH1A1
SCHEMBL14572401 0.74 ACHE (0.55) NSD2MAPK1KDM4EAPAF1ALDH1A1
SCHEMBL565716 0.74 ACHE (0.50) NSD2MAPK1KDM4EAPAF1ALDH1A1
SCHEMBL13197744 0.72 KDM4E (0.46) NSD2MAPK1KDM4EAPAF1ALDH1A1
SCHEMBL14380308 0.72 KDM4E (0.46) NSD2MAPK1KDM4EAPAF1ALDH1A1
SCHEMBL14572400 0.70 ACHE (0.50) NSD2MAPK1KDM4EAPAF1ALDH1A1

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-4132939-B1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-01-31 EP disclosed