SCHEMBL9538815

SCHEMBL9538815

CNC1CCC2=C1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c1F)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 5/20 0.40
PMP22 Q01453 1/20 0.40
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
AADAT Q8N5Z0 2/20 0.38
POLB P06746 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL9534436 0.92 ALDH1A1 (0.44) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9536182 0.88 KDM4E (0.43) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9535368 0.87 TOP2A (0.51) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9535689 0.84 ALDH1A1 (0.44) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9539535 0.84 KDM4E (0.45) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9538346 0.82 KMT2A (0.44) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9536926 0.81 ALDH1A1 (0.59) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9537064 0.81 KDM4E (0.64) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9535876 0.80 KDM4E (0.48) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9844986 0.80 KDM4E (0.48) 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 3 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