SCHEMBL8942006

SCHEMBL8942006

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(NCCN)C4)cc3nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
CYP2C9 P11712 1/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
BRD4 O60885 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
NPC1 O15118 1/20 0.43
ABCC4 O15439 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
SCHEMBL8942153 0.93 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942358 0.92 ALDH1A1 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941913 0.92 LMNA (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942003 0.90 ALDH1A1 (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942168 0.90 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941940 0.88 ALDH1A1 (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941938 0.88 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941882 0.87 ALDH1A1 (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942178 0.87 ALDH1A1 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Water SCHEMBL8942037 0.87 LMNA (0.52) 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