SCHEMBL8942036

SCHEMBL8942036

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N)(c5ccccc5)C4)c(F)c3nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
CYP2C9 P11712 1/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
TSHR P16473 4/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ABCC4 O15439 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
KDM4E B2RXH2 9/20 0.42
HPGD P15428 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
PMP22 Q01453 1/20 0.42
CASP1 P29466 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8942054 0.92 KDM4E (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942189 0.89 HPGD (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941894 0.89 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941988 0.87 DPP4 (0.36) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942019 0.87 DPP4 (0.36) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941888 0.85 DPP4 (0.53) LMNACYP2C9ABCC4KDM4EHPGD
SCHEMBL8941896 0.84 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9776017 0.82 KDM4E (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775882 0.81 LMNA (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942170 0.80 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-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed