SCHEMBL7823482

SCHEMBL7823482

CCOC(=O)Oc1cn(CC)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
CYP2C9 P11712 1/20 0.45
ATP6V1B2 P21281 1/20 0.45
TBXA2R P21731 1/20 0.45
EDNRA P25101 1/20 0.45
TARBP2 Q15633 1/20 0.45
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
ABCC4 O15439 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL6241096 0.88 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL3977245 0.84 ALDH1A1 (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10587033 0.84 GABRA2 (0.41) ALDH1A1TSHRKDM4EMAPK1HPGD
SCHEMBL7095727 0.83 DPP4 (0.40) LMNAALDH1A1MAPTABCC4KDM4E
SCHEMBL8130696 0.83 GABRA2 (0.42) LMNAALDH1A1TSHRPOLBKMT2A
SCHEMBL7103475 0.83 EPHA2 (0.42) LMNAALDH1A1TSHRMAPTTHRB
SCHEMBL10913668 0.81 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10911159 0.80 POLB (0.50) LMNAALDH1A1TSHRPOLBKMT2A
SCHEMBL3814272 0.80 TSHR (0.41) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL7817695 0.79 KMT2A (0.54) LMNAALDH1A1TSHRPOLBKMT2A

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
EP-0828715-B1 N-OXIDES AS ANTIBACTERIAL AGENTS BAYER AG (DE) 2001-08-16 EP disclosed
EP-0310917-A2 Quinolonecarboxylic acids bearing C(7) carbon-functionality and a method for their preparation BAYER AG (DE) 1989-04-12 EP disclosed
EP-0205029-A2 Quinolinecarboxylic acids with an antibacterial activity BAYER AG (DE) 1986-12-17 EP disclosed