SCHEMBL6016898

SCHEMBL6016898

COc1ccc(Nc2nc(Cl)nc(NCCCCCCCC3CCCCC3)n2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 4/20 0.54
BCL6 P41182 4/20 0.43
APP P05067 1/20 0.42
GALR2 O43603 4/20 0.41
RAB9A P51151 1/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
GAA P10253 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
GBA1 P04062 1/20 0.39
AURKA O14965 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KCNH3 Q9ULD8 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
SCHEMBL4832453 0.86 GALR1 (0.67) GALR1BCL6APPGALR2RAB9A
SCHEMBL4838260 0.81 RAB9A (0.62) GALR1BCL6APPGALR2RAB9A
SCHEMBL4837799 0.79 GALR1 (0.55) GALR1BCL6APPGALR2GAA
SCHEMBL7038016 0.78 GALR1 (0.50) GALR1BCL6GALR2RAB9A
SCHEMBL6209045 0.78 GALR1 (0.59) GALR1GALR2GBA1
SCHEMBL4836537 0.78 APP (0.63) GALR1APPGALR2RAB9AGAA
SCHEMBL4832400 0.78 GALR1 (0.49) GALR1BCL6GALR2
SCHEMBL4836168 0.78 GALR1 (0.66) GALR1BCL6GALR2RAB9A
SCHEMBL4832399 0.78 RAB9A (0.53) GALR1BCL6APPGALR2RAB9A
SCHEMBL6209506 0.78 GALR1 (0.58) GALR1BCL6GALR2AURKA

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
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed