SCHEMBL9529605

SCHEMBL9529605

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCNCC4)cc3nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.71
CYP2C9 P11712 2/20 0.71
ATP6V1B2 P21281 1/20 0.71
TBXA2R P21731 1/20 0.71
EDNRA P25101 1/20 0.71
TARBP2 Q15633 1/20 0.71
ALDH1A1 P00352 8/20 0.68
HSD17B10 Q99714 7/20 0.68
KDM4E B2RXH2 7/20 0.68
HPGD P15428 7/20 0.68
TSHR P16473 2/20 0.68
HTT P42858 2/20 0.68
BRD4 O60885 1/20 0.68
CYP2J2 P51589 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
DRD3 P35462 1/20 0.53
CYP1A2 P05177 1/20 0.50
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
MEN1 O00255 6/20 0.49

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
Water SCHEMBL9775888 0.99 LMNA (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941879 0.90 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775875 0.90 DRD3 (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775890 0.90 DRD3 (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775921 0.88 ALDH1A1 (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775945 0.87 ALDH1A1 (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Water SCHEMBL9785229 0.87 ALDH1A1 (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Water SCHEMBL9785232 0.87 ALDH1A1 (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775868 0.86 DRD3 (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL7227652 0.86 DRD3 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379412-B1 1,8-Benzonaphthyridine derivatives, their preparation and compositions containing them BELLON LABOR SA ROGER (FR) 1993-12-01 EP claimed
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US claimed
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
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed