SCHEMBL29979688

SCHEMBL29979688

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
LMNA P02545 4/20 0.39
CYP2C9 P11712 2/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 4/20 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

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
SCHEMBL19986891 1.00 KMT2A (0.39) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987075 0.93 KMT2A (0.39) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987068 0.92 EPHA2 (0.40) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL29979968 0.91 KMT2A (0.38) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987026 0.91 KMT2A (0.38) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987086 0.90 LMNA (0.40) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL29980282 0.90 LMNA (0.40) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL23542655 0.88 KDM4E (0.32) KMT2ALMNAEPHA2FLT4GSK3B
SCHEMBL28960333 0.87 KMT2A (0.38) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987043 0.87 KMT2A (0.41) KMT2ALMNACYP2C9ATP6V1B2TBXA2R

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