SCHEMBL9536182

SCHEMBL9536182

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4=C(C3)C(N)CC4)c(F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
POLB P06746 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
AADAT Q8N5Z0 2/20 0.41
PMP22 Q01453 1/20 0.41
KCNH2 Q12809 4/20 0.40
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TUBB4A P04350 1/20 0.39

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
SCHEMBL9535599 0.92 ALDH1A1 (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9538815 0.88 KDM4E (0.42) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9241429 0.86 ALDH1A1 (0.54) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9534341 0.85 KDM4E (0.58) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9535816 0.84 ALDH1A1 (0.45) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9537286 0.83 KDM4E (0.46) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9535373 0.82 KMT2A (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9844986 0.82 KDM4E (0.48) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9045944 0.80 ALDH1A1 (0.63) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9534436 0.80 ALDH1A1 (0.44) KDM4ELMNAALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed