SCHEMBL21755868

SCHEMBL21755868

Nc1c(Cl)nc2ccccc2c1NCCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.63
KDM4E B2RXH2 2/20 0.63
GAA P10253 2/20 0.63
NPC1 O15118 1/20 0.63
GLA P06280 1/20 0.63
POLB P06746 1/20 0.63
RAD52 P43351 1/20 0.63
RAB9A P51151 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
BCHE P06276 6/20 0.61
ACHE P22303 6/20 0.61
TERT O14746 1/20 0.59
MAPT P10636 3/20 0.57
HSD17B10 Q99714 3/20 0.57
ALOX15 P16050 2/20 0.57
TOP2A P11388 1/20 0.57
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56

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
SCHEMBL14850990 0.82 TLR9 (0.59) KMT2ALMNAKDM4EGAANPC1
SCHEMBL14842148 0.81 KMT2A (0.57) KMT2ALMNAKDM4EGAANPC1
SCHEMBL24733471 0.80 ACP1 (0.47) KMT2ALMNAKDM4EGAANPC1
SCHEMBL29976948 0.80 ACP1 (0.47) KMT2ALMNAKDM4EGAANPC1
SCHEMBL14850945 0.79 KDM4E (0.54) KMT2ALMNAKDM4EGAANPC1
SCHEMBL4726553 0.78 NPSR1 (1.00) KMT2ALMNAKDM4EGAANPC1
SCHEMBL4088578 0.77 CYP1A2 (0.72) KMT2ALMNAPOLBNPSR1MAPT
SCHEMBL20801391 0.77 SLC2A1 (0.48) BCHEACHEALDH1A1SLC2A1
SCHEMBL213949 0.76 KCNH3 (0.46) KMT2ALMNAKDM4EGAANPC1
SCHEMBL14233268 0.76 TLR9 (0.64) KMT2ALMNANPSR1MAPTHSD17B10

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-2763677-B1 NOVEL IMIDAZOLE QUINOLINE-BASED IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2020-02-26 EP disclosed