SCHEMBL9775918

SCHEMBL9775918

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCCNCC4)c(F)c3nc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
CYP2C9 P11712 2/20 0.66
ATP6V1B2 P21281 1/20 0.66
TBXA2R P21731 1/20 0.66
EDNRA P25101 1/20 0.66
TARBP2 Q15633 1/20 0.66
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
TSHR P16473 2/20 0.53
BRD4 O60885 1/20 0.53
HTT P42858 1/20 0.53
CYP2J2 P51589 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PMP22 Q01453 1/20 0.51
CASP1 P29466 1/20 0.48
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
PKM P14618 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
SCHEMBL9775882 0.96 LMNA (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775892 0.90 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9776172 0.89 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942130 0.87 LMNA (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9776017 0.87 KDM4E (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775904 0.86 LMNA (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775884 0.85 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11022192 0.84 KDM4E (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9776101 0.82 LMNA (0.50) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775946 0.82 LMNA (0.50) 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