SCHEMBL6690458

SCHEMBL6690458

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.61
HPGD P15428 6/20 0.58
LMNA P02545 4/20 0.58
POLB P06746 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 1/20 0.55
DRD3 P35462 1/20 0.54
HSD17B10 Q99714 5/20 0.53
HTT P42858 3/20 0.53
TSHR P16473 3/20 0.53
BRD4 O60885 1/20 0.53
CYP2J2 P51589 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.51
RAB9A P51151 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
7-Desethyl-Norfloxacin SCHEMBL5551203 0.92 TOP1 (0.70) TOP1HPGDLMNAPOLBTAAR1
7-Desethyl-Norfloxacin SCHEMBL30610053 0.92 TOP1 (0.70) TOP1HPGDLMNAPOLBTAAR1
7-Desethyl-Norfloxacin SCHEMBL29548802 0.91 TOP1 (0.68) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL28334702 0.89 HPGD (0.62) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL22698659 0.86 HPGD (0.65) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL15281991 0.83 TOP1 (0.67) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL5549146 0.82 KDM4E (0.56) TOP1HPGDLMNAKDM4EALDH1A1
SCHEMBL3812477 0.82 HPGD (0.56) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL16591582 0.81 HPGD (0.55) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL501895 0.81 DRD3 (0.68) HPGDLMNAPOLBTAAR1KMT2A

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
WO-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed