SCHEMBL11808482

SCHEMBL11808482

O=C1NCCCc2oc(-c3ccccc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.63
PARP11 Q9NR21 5/20 0.46
PARP10 Q53GL7 4/20 0.46
PARP1 P09874 4/20 0.39
PDPK1 O15530 1/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
TYRO3 Q06418 1/20 0.38
NTRK2 Q16620 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G4A P47712 1/20 0.38
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
GRM5 P41594 1/20 0.37
HPGD P15428 3/20 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
SCHEMBL3051114 0.81 CDC7 (0.47) CDC7PARP1PLA2G2APLA2G4AGRM5
SCHEMBL13145547 0.78 CDC7 (0.49) CDC7PARP1PLA2G2APLA2G4AHPGD
SCHEMBL10824405 0.70 PLA2G2A (0.50) PARP1PLA2G2APLA2G4AHPGDSMN1; SMN2
SCHEMBL25292799 0.70 PARP11 (0.82) PARP11PARP10PARP1PDPK1TYRO3
SCHEMBL11813154 0.70 HTR6 (0.40) CDK5CDK5R1PLA2G2APLA2G4AHPGD
SCHEMBL10427272 0.70 CDC7 (0.41) CDC7PARP1PLA2G2APLA2G4AHPGD
SCHEMBL12546313 0.69 PARP10 (0.81) PARP11PARP10PARP1PDPK1CDK5
SCHEMBL22905580 0.69 CDC7 (0.40) CDC7PARP11PARP10PARP1CDK5
Hydrochloric Acid SCHEMBL11812473 0.69 HTR6 (0.40) PLA2G2APLA2G4AHPGDNPC1CYP3A4
SCHEMBL28588903 0.67 NPC1 (0.40) PARP1PLA2G2APLA2G4AHPGDSMN1; 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
US-3952025-A ANALGESIC, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-04-20 US disclosed