SCHEMBL9757474

SCHEMBL9757474

CCNc1ccc2c(c1)CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3CC)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.64
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 6/20 0.61
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
NPC1 O15118 1/20 0.61
HTT P42858 6/20 0.60
HSD17B10 Q99714 3/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 2/20 0.60
BRD4 O60885 1/20 0.60
CYP2J2 P51589 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
USP2 O75604 1/20 0.59
TDP1 Q9NUW8 3/20 0.57
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL9757201 0.86 DRD3 (0.74) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL9757443 0.86 DRD3 (0.67) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL9757037 0.85 DRD3 (0.63) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL9757470 0.81 DRD3 (0.56) DRD3KDM4EALDH1A1HPGDKMT2A
Pefloxacin SCHEMBL28251251 0.78 DRD3 (1.00) DRD3KDM4EALDH1A1HPGDKMT2A
Pefloxacin SCHEMBL34292 0.78 DRD3 (1.00) DRD3KDM4EALDH1A1HPGDKMT2A
Pefloxacin SCHEMBL29351730 0.78 DRD3 (1.00) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL9757299 0.78 DRD3 (0.64) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL11022977 0.78 DRD3 (0.83) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL9844976 0.78 KDM4E (0.74) DRD3KDM4EALDH1A1HPGDKMT2A

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed