SCHEMBL9748102

SCHEMBL9748102

C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC(C3)N4C)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
CYP1A2 P05177 1/20 0.53
TOP2A P11388 1/20 0.53
CYP2C9 P11712 1/20 0.53
TOP2B Q02880 1/20 0.53
MAPT P10636 1/20 0.53
DRD3 P35462 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
PIK3CG P48736 6/20 0.45

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
SCHEMBL9749641 0.94 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9748511 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9748540 0.86 KDM4E (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9184515 0.86 KDM4E (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL10561159 0.85 KDM4E (0.70) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9685920 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9750235 0.84 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9747974 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10691007 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9749538 0.84 DRD3 (0.71) ALDH1A1KDM4ELMNAHPGDHSD17B10

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 6 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
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed