SCHEMBL1826641

SCHEMBL1826641

O=C1N=C(c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
BRD4 O60885 3/20 0.42
ALPL P05186 1/20 0.42
CYP1A2 P05177 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 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
SCHEMBL11297168 0.84 MAPT (0.51) MAOBRAB9AMEN1KMT2ALMNA
SCHEMBL5579205 0.81 RAB9A (0.42) RAB9AMEN1KMT2ALMNAGAA
SCHEMBL28388285 0.81 PTPN1 (0.43) MAOBRAB9AMEN1KMT2ALMNA
SCHEMBL22770028 0.78 MAPT (0.44) MAOBCYP1A2ADORA2AADORA1RAB9A
SCHEMBL20681466 0.77 HDAC4 (0.50) MAOBPTGS2RAB9AMEN1KMT2A
SCHEMBL22769968 0.77 BACE1 (0.49) MAOBCYP1A2KMT2AMAPTKDM4E
SCHEMBL14455176 0.76 IDO1 (0.50) MAOBBRD4CYP1A2PTGS2PTGS1
SCHEMBL28425347 0.74 ALDH1A1 (0.54) MAOBPTGS2PTGS1ADORA2AADORA1
SCHEMBL21253038 0.72 PDK2 (0.40) PTGS2PTGS1RAB9ANPC1
SCHEMBL21253173 0.72 MAPT (0.38) LMNAGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315749-A2 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2011-05-04 EP disclosed
WO-2009156735-A2 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-30 WO disclosed