SCHEMBL15560656

SCHEMBL15560656

Cc1ccc(-n2ncc(-c3nnn(Cc4ccccc4)n3)c2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
NPC1 O15118 6/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR1 P03372 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL15560852 0.92 RAB9A (0.56) RAB9AL3MBTL1NPC1LMNAESR1
SCHEMBL15560332 0.90 RAB9A (0.49) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15560019 0.88 RAB9A (0.50) RAB9AL3MBTL1NPC1LMNAESR1
SCHEMBL15555874 0.87 RAB9A (0.49) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15554875 0.87 RAB9A (0.49) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15553373 0.86 RAB9A (0.48) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15555658 0.86 CYP19A1 (0.43) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15555155 0.85 LMNA (0.40) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15559423 0.85 ESR1 (0.53) RAB9AL3MBTL1NPC1LMNATSHR
SCHEMBL15559737 0.85 RAB9A (0.51) RAB9AL3MBTL1NPC1LMNAESR1

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-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 WO claimed