SCHEMBL9954949

SCHEMBL9954949

Cc1ccc2c(Cl)onc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GRM2 Q14416 2/20 0.37
CHEK1 O14757 1/20 0.37
PARP1 P09874 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9953480 0.84 LMNA (0.47) LMNAPARP1MAPTNPC1RAB9A
SCHEMBL9955974 0.79 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8404501 0.79 DYRK1A (0.42) LMNACHEK1PARP1PIM1RPS6KA3
SCHEMBL23474002 0.72 MAPT (0.42) LMNAMAPTNPC1RAB9ANPSR1
SCHEMBL10396438 0.71 ALDH1A1 (0.54) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7217441 0.70 MAOA (0.44) LMNAMAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL9595057 0.68 NQO2 (0.50) LMNAGRM2MAPTNPSR1ALDH1A1
SCHEMBL4499993 0.68 MAPT (0.54) LMNAMAPTNPC1RAB9AKDM4E
SCHEMBL8404510 0.67 DYRK1A (0.54) LMNAPARP1MAPTNPC1RAB9A
SCHEMBL9955960 0.67 ALDH1A1 (0.59) LMNAPARP1PIM1MAPTSMN1; SMN2

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-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed