SCHEMBL30699474

SCHEMBL30699474

COc1c(F)cc(F)c(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.37
CRBN Q96SW2 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL31728519 0.85 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7763657 0.81 CA1 (0.45) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3300050 0.79 KMT2A (0.40) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL203637 0.78 MEN1 (0.44) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29411714 0.78 MEN1 (0.44) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL30805785 0.76 KMT2A (0.43) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27302869 0.76 KMT2A (0.43) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27302899 0.75 HSD17B10 (0.50) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27303319 0.75 KMT2A (0.44) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL13469364 0.75 CA1 (0.50) CA12CA1CA2CA7CA9

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
WO-2023244713-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed