SCHEMBL8776102

SCHEMBL8776102

C=CN1CCCC1.C=Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 4/20 0.41
IKBKB O14920 3/20 0.41
RAF1 P04049 3/20 0.41
RPS6KB1 P23443 3/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
KDR P35968 3/20 0.41
MAPKAPK2 P49137 3/20 0.41
PRKAG1 P54619 3/20 0.41
MAP2K1 Q02750 3/20 0.41
PRKAA1 Q13131 3/20 0.41
NEK1 Q96PY6 3/20 0.41
PRKAB1 Q9Y478 3/20 0.41
PRDX1 Q06830 1/20 0.40

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
Cyclohexane SCHEMBL9193794 0.85 RAB9A (0.58) RAB9ANPC1MEN1KMT2AATM
Formaldehyde SCHEMBL17443195 0.82 MEN1 (0.61) RAB9ANPC1MEN1KMT2AATM
SCHEMBL15193 0.82
SCHEMBL9359592 0.82 MEN1 (0.67) RAB9ANPC1MEN1KMT2AATM
SCHEMBL29371456 0.82
SCHEMBL4386763 0.81 RAB9A (0.39) RAB9ANPC1MEN1KMT2AATM
Iodide SCHEMBL10987591 0.80 MEN1 (0.64) RAB9ANPC1MEN1KMT2AATM
Iodide SCHEMBL1274592 0.80
Phosphine SCHEMBL3755463 0.80
SCHEMBL7621695 0.80

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
EP-0563342-B1 ELECTRORHEOLOGICAL FLUIDS CONTAINING ELECTRONICALLY CONDUCTIVE POLYMERS LUBRIZOL CORP (US) 1997-11-26 EP claimed