SCHEMBL11124641

SCHEMBL11124641

Cc1ccc(NN=Cc2ccncc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.97
NPC1 O15118 6/20 0.97
GAA P10253 6/20 0.97
MAPT P10636 6/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 3/20 0.60
POLB P06746 3/20 0.59
THRB P10828 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
SRC P12931 1/20 0.49

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
SCHEMBL14832820 1.00 RAB9A (0.97) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL15216572 0.93 RAB9A (0.84) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL14831808 0.82 RAB9A (0.69) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL11127223 0.82 RAB9A (0.69) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL5778611 0.82 RAB9A (0.68) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL14438165 0.81 NOX1 (0.74) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL11127219 0.81 NOX1 (0.74) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL11674398 0.81 NOX1 (0.74) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL11674396 0.81 NOX1 (0.74) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL14832809 0.81 RAB9A (0.67) RAB9ANPC1GAAMAPTALDH1A1

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
WO-2013046041-A1 PYRIDINYLPYRAZOLES FOR USE AS KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-04-04 WO disclosed
EP-0023652-B1 PROCESS FOR THE PREPARATION OF CATIONIC DYESTUFFS BAYER AG (DE) 1984-05-09 EP disclosed
EP-0023652-A1 Process for the preparation of cationic dyestuffs BAYER AG (DE) 1981-02-11 EP disclosed