SCHEMBL9757350

SCHEMBL9757350

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3Cc4cccc([N+](=O)[O-])c4C3)c(F)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 6/20 0.53
HSD17B10 Q99714 5/20 0.53
PMP22 Q01453 1/20 0.52
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
PIM1 P11309 1/20 0.46
DRD3 P35462 1/20 0.44
TOP1 P11387 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9757501 0.86 HPGD (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757328 0.86 TOP2A (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9757048 0.85 DRD3 (0.61) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL9757249 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757405 0.85 PIM1 (0.49) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757476 0.84 TOP1 (0.50) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL313584 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757695 0.79 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11073382 0.76 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9757327 0.76 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22

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