SCHEMBL13822124

SCHEMBL13822124

O=C(Cc1ccc(I)cc1)Nc1c(Cl)ncnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
FFAR2 O15552 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NLRP3 Q96P20 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4203104 0.88 RAB9A (0.56) KMT2ARAB9ANPC1FFAR2MEN1
SCHEMBL4203468 0.84 EPHX2 (0.54) KMT2ARAB9AHDAC6MEN1ALDH1A1
SCHEMBL13822123 0.83 MAPK8 (0.49) KMT2AMEN1ALDH1A1NLRP3MAPT
SCHEMBL4211528 0.77 CYP1A2 (0.57) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL3265438 0.77 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3110192 0.74 RECQL (0.54) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL4215163 0.73 NPC1 (0.54) KMT2ARAB9ANPC1ALDH1A1MAPT
SCHEMBL7931373 0.72 MAPT (0.47) KMT2AHDAC6MEN1ALDH1A1MAPT
SCHEMBL4209304 0.72 POLB (0.43) KMT2ARAB9ANPC1HDAC6MEN1
SCHEMBL15449548 0.71 ALDH1A1 (0.44) KMT2ARAB9ANPC1MEN1ALDH1A1

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
WO-2009078999-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed