SCHEMBL29980282

SCHEMBL29980282

CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(CO)(CO)CC3)c(F)cc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
CYP2C9 P11712 1/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL19987086 1.00 LMNA (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19986950 0.94 LMNA (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19974017 0.92 KDM4E (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL29979688 0.90 KMT2A (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19986891 0.90 KMT2A (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19975575 0.88 KMT2A (0.35) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL29980528 0.88 KMT2A (0.35) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19974016 0.88 KMT2A (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL29980178 0.88 KMT2A (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL23542650 0.86 LMNA (0.45) 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
CN-109689656-B 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2022-10-04 CN disclosed