SCHEMBL9864929

SCHEMBL9864929

O=C(O)c1cn(C2CC2)c2c(F)c(N3CC4CCCC3CN4)c(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TOP2A P11388 6/20 0.53
TOP2B Q02880 6/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
LMNA P02545 1/20 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
SCHEMBL9378400 0.95 KCNH2 (0.56) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9866041 0.91 ALDH1A1 (0.61) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9378328 0.90 KCNH2 (0.55) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9866672 0.87 KDM4E (0.61) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9867237 0.85 TOP2A (0.55) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9837322 0.84 KDM4E (0.60) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9837294 0.84 KDM4E (0.64) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9837531 0.83 ALDH1A1 (0.47) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9378402 0.83 KCNH2 (0.45) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9865625 0.82 CACNA1F (0.64) KCNH2POLBTOP2ATOP2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4962108-A A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING WARNER-LAMBERT COMPANY (US) 1990-10-09 US claimed
EP-0305744-A2 Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-08 EP claimed
US-4992546-A Process for preparing 6,8-diazabicyclo[3.2.2]nonane derivatives WARNER-LAMBERT COMPANY (US) 1991-02-12 US disclosed
US-4968799-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-11-06 US disclosed
US-4962108-A A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING WARNER-LAMBERT COMPANY (US) 1990-10-09 US disclosed
US-4923879-A CARBOXYLIC ACID DERIVATIVES WITH BRIDGED SIDECHAINS WARNER-LAMBERT COMPANY (US) 1990-05-08 US disclosed
EP-0305744-A2 Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-08 EP disclosed