SCHEMBL9730644

SCHEMBL9730644

Cc1cc2ccc(Cl)c(C)c2nc1-n1cncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALOX5AP P20292 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
F9 P00740 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8672242 0.76 APOBEC3A (0.37) KCNJ5KCNJ3ADORA2AADORA1ALOX5AP
SCHEMBL8671760 0.71 TDP1 (0.45) KCNJ5KCNJ3ADORA2AADORA1KDM4E
SCHEMBL8669728 0.70 ALOX5AP (0.36) KCNJ5KCNJ3ADORA2AADORA1ALOX5AP
SCHEMBL3877857 0.70 MEN1 (0.35) NPC1MAPTTDP1
SCHEMBL9730937 0.70 ALDH1A1 (0.35) KDM4ENPC1ALDH1A1MAPTCYP3A4
SCHEMBL8674069 0.69 MEN1 (0.34) ADORA2AADORA1ALOX5APKDM4EALDH1A1
SCHEMBL9730966 0.67 KDM4E (0.38) KCNJ5KCNJ3KDM4EALDH1A1MAPT
SCHEMBL11995530 0.65 SMN1; SMN2 (0.46) SLC6A2SLC6A4SLC6A3F9KDM4E
SCHEMBL24970936 0.65 ADRB1 (0.43) KDM4ENPC1ALDH1A1POLBMAPT
SCHEMBL31142946 0.65 ADRB1 (0.43) KDM4ENPC1ALDH1A1POLBMAPT

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
US-5104884-A Rheumatic diseases, fungicides ALKALOIDA VEGYESZETI GYAR (HU) 1992-04-14 US disclosed
EP-0221947-A1 TRIAZOLYL QUINOLINE DERIVATIVES. ALKALOIDA VEGYESZETI GYAR (HU) 1987-05-20 EP disclosed
WO-1986006721-A1 TRIAZOLYL QUINOLINE DERIVATIVES ALKALOIDA VEGYÉSZETI GYÁR (HU) 1986-11-20 WO disclosed