SCHEMBL8941906

SCHEMBL8941906

O=C(O)c1cn(CCF)c2nc3cc(N4CC(N5CCNCC5)C4)c(F)cc3cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
CYP2C9 P11712 2/20 0.50
ATP6V1B2 P21281 1/20 0.50
TBXA2R P21731 1/20 0.50
EDNRA P25101 1/20 0.50
TARBP2 Q15633 1/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 6/20 0.47
BRD4 O60885 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.45
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
DRD3 P35462 1/20 0.40
TOP1 P11387 5/20 0.39

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
SCHEMBL8941879 0.92 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942177 0.89 LMNA (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942154 0.86 KDM4E (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942218 0.85 ALDH1A1 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941976 0.85 ALDH1A1 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942137 0.84 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942224 0.83 ALDH1A1 (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775969 0.82 ALDH1A1 (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941921 0.82 ALDH1A1 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9529605 0.82 LMNA (0.71) 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
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed