SCHEMBL11596393

SCHEMBL11596393

ClCCn1cnc2c(Cl)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.54
P2RX7 Q99572 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
FGFR1 P11362 8/20 0.49
FGFR4 P22455 8/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2A P29274 5/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.46
NSD2 O96028 1/20 0.43
NSD3 Q9BZ95 1/20 0.43

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
SCHEMBL11596860 0.91 FDPS (0.52) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL2001378 0.90 FDPS (0.51) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL11597661 0.88 FDPS (0.50) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL15453238 0.84 FDPS (0.52) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL9741153 0.84 ADORA2A (0.66) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL23436498 0.84 ADORA2A (0.66) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL11596726 0.81 ADORA2A (0.68) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL21591509 0.81 ADORA2A (0.51) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL31331791 0.81 ADORA2A (0.68) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL8982987 0.81 ADORA2A (0.68) FDPSP2RX7HDAC6FGFR1FGFR4

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-4100286-A 2-(Substituted heterocyclic amine)benzoic acids SCIENCE UNION ET CIE (FR) 1978-07-11 US disclosed