SCHEMBL19986931

SCHEMBL19986931

CCCC(C)(C)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(Cl)c(F)cc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
CYP2C9 P11712 1/20 0.31
ATP6V1B2 P21281 1/20 0.31
TBXA2R P21731 1/20 0.31
EDNRA P25101 1/20 0.31
TARBP2 Q15633 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19986932 0.90 KDM4E (0.32) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL19986870 0.86 KDM4E (0.34) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL29979932 0.86 KDM4E (0.34) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19974190 0.85 SLC22A2 (0.35) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL19974021 0.84 EPHA2 (0.34) LMNACYP2C9KDM4EALDH1A1POLB
SCHEMBL19986948 0.81 KMT2A (0.35) LMNACYP2C9KDM4EALDH1A1POLB
SCHEMBL19987109 0.79 POLB (0.33) LMNACYP2C9KDM4EALDH1A1POLB
SCHEMBL19987107 0.77 PDE4A (0.33) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL28904868 0.77 KDM4E (0.32) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL19986916 0.76 KMT2A (0.35) LMNACYP2C9KDM4EALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512849-B1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE BAYER AG (DE) 2021-06-23 EP disclosed
WO-2018050510-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-22 WO disclosed