SCHEMBL25828108

SCHEMBL25828108

CCOC(=O)c1ccc(NCc2c(F)cc(Br)cc2F)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
PKM P14618 1/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
LMNA P02545 1/20 0.63
PTGER4 P35408 1/20 0.61
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HCAR3 P49019 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL25828131 0.83 PTGER4 (0.58) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL25255379 0.82 KMT2A (0.57) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL22382354 0.81 MAPT (0.81) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL14376796 0.78 MAPT (0.61) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL1965205 0.77 KMT2A (0.76) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL1305326 0.77 KMT2A (0.64) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL31304627 0.77 KMT2A (0.64) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL27696486 0.77 MAPT (0.67) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL9043097 0.76 MAPT (0.84) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL1964842 0.76 MAPT (1.00) MAPTALDH1A1RAB9ANPC1PKM

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-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed