SCHEMBL27768180

SCHEMBL27768180

c1ccc(CCc2cc(-c3ccccc3)[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.52
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
PDE10A Q9Y233 1/20 0.47
KCNH2 Q12809 1/20 0.46
NPY5R Q15761 2/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
STAT1 P42224 1/20 0.43
HPGDS O60760 1/20 0.42
GFER P55789 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL17279785 0.93 KCNH2 (0.47) RAB9APOLBDRD4DRD3PDE10A
SCHEMBL27789661 0.89 TAAR1 (0.46) RAB9APOLBDRD4DRD3PDE10A
SCHEMBL28114539 0.84 RAB9A (0.53) RAB9APOLBDRD4DRD3NPY5R
SCHEMBL27478837 0.82 RAB9A (0.52) RAB9APOLBDRD4DRD3NPC1
SCHEMBL27789960 0.80 TNIK (0.56) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL28331079 0.79 RAB9A (0.49) RAB9APOLBDRD4DRD3NPC1
SCHEMBL27477674 0.78 RAB9A (0.47) RAB9APOLBDRD4DRD3NPC1
SCHEMBL31559974 0.78 RAB9A (0.55) RAB9APOLBDRD4DRD3NPC1
SCHEMBL18586692 0.78 RAB9A (0.55) RAB9APOLBDRD4DRD3NPC1
SCHEMBL20542272 0.78 RAB9A (0.55) RAB9APOLBDRD4DRD3NPC1

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
CN-100572381-C Pyrazolonaphthyridine derivative ASKA PHARM CO LTD (JP) 2009-12-23 CN disclosed