SCHEMBL11020192

SCHEMBL11020192

O=C(O)c1cn(C2CC2)c2nc(N3CCCNCC3)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
CYP2C9 P11712 2/20 0.64
ATP6V1B2 P21281 1/20 0.64
TBXA2R P21731 1/20 0.64
EDNRA P25101 1/20 0.64
TARBP2 Q15633 1/20 0.64
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
TOP2A P11388 2/20 0.61
TOP2B Q02880 2/20 0.61
CYP1A2 P05177 1/20 0.61
DPP4 P27487 6/20 0.59
CHRM2 P08172 1/20 0.54
DRD1 P21728 1/20 0.54
DHFR P00374 1/20 0.51
ABCC4 O15439 1/20 0.51
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL311935 0.96 LMNA (0.68) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377708 0.91 DPP4 (0.66) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377719 0.90 DPP4 (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377337 0.90 DPP4 (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11020756 0.85 DPP4 (0.59) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11022634 0.84 DPP4 (0.68) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686951 0.84 KDM4E (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377621 0.84 DPP4 (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377364 0.84 DPP4 (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377610 0.84 DPP4 (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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
EP-0160578-A1 1,8-Naphthyridine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1985-11-06 EP disclosed