SCHEMBL25565806

SCHEMBL25565806

CC(C)(C)c1cc(NC(=O)Nc2cc3c(cc2F)CC(=O)N3)no1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ CSF1R P07333 1/20 0.54
▸ MAPK14 Q16539 6/20 0.50
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ BRAF P15056 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ MAPK13 O15264 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ RET P07949 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25567411 0.82 ALDH1A1 (0.49) RAB9ANPC1CSF1RMAPK14BRAF
SCHEMBL25564759 0.81 MAPK14 (0.58) RAB9ANPC1CSF1RMAPK14KMT2A
SCHEMBL25565785 0.77 RAF1 (0.49) RAB9ANPC1CSF1RMAPK14MAPT
SCHEMBL1257102 0.75 RAB9A (0.72) RAB9ANPC1CSF1RMAPK14MAPT
SCHEMBL155351 0.75 HDAC3 (0.42) —
SCHEMBL25567722 0.74 MAPK14 (0.46) RAB9ANPC1CSF1RMAPK14KMT2A
SCHEMBL152807 0.74 HDAC3 (0.45) POLB
SCHEMBL25565793 0.74 HDAC3 (0.38) EPHX2
SCHEMBL13234413 0.74 RAB9A (1.00) RAB9ANPC1MAPK14MAPTHTT
SCHEMBL25567414 0.74 HDAC3 (0.41) KMT2AEPHX2SMN1; SMN2

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-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 — — WO disclosed
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