SCHEMBL9775884

SCHEMBL9775884

Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCNCC4)c(F)c3nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CYP2C9 P11712 2/20 0.52
ATP6V1B2 P21281 1/20 0.52
TBXA2R P21731 1/20 0.52
EDNRA P25101 1/20 0.52
TARBP2 Q15633 1/20 0.52
KDM4E B2RXH2 12/20 0.46
HPGD P15428 9/20 0.45
HSD17B10 Q99714 9/20 0.45
ALDH1A1 P00352 8/20 0.45
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TOP2A P11388 5/20 0.45
TOP2B Q02880 4/20 0.45
PMP22 Q01453 1/20 0.43
CYP1A2 P05177 1/20 0.43
TOP1 P11387 1/20 0.42

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
SCHEMBL9776172 0.96 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941990 0.90 LMNA (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9527325 0.90 KDM4E (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9786232 0.89 KDM4E (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775962 0.88 KDM4E (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775946 0.88 LMNA (0.50) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9776101 0.88 LMNA (0.50) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775882 0.88 LMNA (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775898 0.87 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775925 0.86 TOP2A (0.56) 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-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed