SCHEMBL9757501

SCHEMBL9757501

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3Cc4cccc(N)c4C3)c(F)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.56
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 6/20 0.56
ALDH1A1 P00352 6/20 0.56
PMP22 Q01453 1/20 0.55
DRD3 P35462 1/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL9757249 0.89 KDM4E (0.63) HPGDKDM4EHSD17B10ALDH1A1PMP22
SCHEMBL9757350 0.86 KDM4E (0.53) HPGDKDM4EHSD17B10ALDH1A1PMP22
SCHEMBL8093551 0.85 TOP2A (0.53) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL9757372 0.84 PIM1 (0.48) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL9757299 0.84 DRD3 (0.64) HPGDKDM4EHSD17B10ALDH1A1DRD3
SCHEMBL9757156 0.82 TOP2A (0.47) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL313584 0.82 KDM4E (0.61) HPGDKDM4EHSD17B10ALDH1A1PMP22
SCHEMBL9757327 0.79 KDM4E (0.57) HPGDKDM4EHSD17B10ALDH1A1PMP22
SCHEMBL312380 0.78 KDM4E (0.84) HPGDKDM4EHSD17B10ALDH1A1PMP22
SCHEMBL11185030 0.78 KDM4E (0.71) HPGDKDM4EHSD17B10ALDH1A1PMP22

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed