SCHEMBL9749465

SCHEMBL9749465

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 4/20 0.61
HPGD P15428 4/20 0.61
HTT P42858 4/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
BRD4 O60885 1/20 0.61
CYP2J2 P51589 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
DRD3 P35462 1/20 0.59
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.51
PIK3CG P48736 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3R1 P27986 1/20 0.50

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
SCHEMBL9837350 0.92 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9685908 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9684708 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9748481 0.84 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9670968 0.84 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9749598 0.84 DRD3 (0.64) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9837602 0.83 HSD17B10 (0.64) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9481281 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL10480257 0.82 DRD3 (0.63) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL9749610 0.82 DRD3 (0.63) KDM4EALDH1A1HSD17B10HPGDHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
CN-1014789-B PROCESS FOR PREPARING REPLACABLE BRIDGED HEAVY NITROGEN BICYCLOALKYL CARBOSTYRIL CARBOXYLIC ACID PFIZER (US) 1991-11-20 CN disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed