SCHEMBL9866341

SCHEMBL9866341

O=C(O)c1c(C2C3CCC2NC3)n(C2CC2)c2c(F)cc(F)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
KCNH2 Q12809 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TOP2A P11388 3/20 0.32
TOP2B Q02880 3/20 0.32
PIM1 P11309 1/20 0.32
GSK3A P49840 1/20 0.32

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
SCHEMBL9865158 0.77 KDM4E (0.36) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL28441029 0.74 KDM4E (0.52) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL28409035 0.74 KDM4E (0.52) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL9574531 0.68 KDM4E (0.35) KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB
SCHEMBL9215466 0.67 KDM4E (0.33) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL9634933 0.67 PIM1 (0.38) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL9249913 0.66 KCNH2 (0.41) KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB
SCHEMBL9244385 0.65 KCNH2 (0.41) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL9129070 0.65 PIM1 (0.37) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL9129061 0.65 PIM1 (0.37) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD

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 8 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
JP-1050884-A None JP disclosed
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