SCHEMBL8941896

SCHEMBL8941896

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N)(c5ccccc5)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
KDM4E B2RXH2 9/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
ABCC4 O15439 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL8942026 0.92 ALDH1A1 (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941927 0.89 EPHA2 (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942107 0.89 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942182 0.86 EPHA2 (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942108 0.86 KDM4E (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941957 0.85 DPP4 (0.51) LMNACYP2C9KDM4EHSD17B10ALDH1A1
SCHEMBL8942036 0.84 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942004 0.83 LMNA (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941938 0.82 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Water SCHEMBL8942037 0.81 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