SCHEMBL9694201

SCHEMBL9694201

NC(=O)c1ccc(Cn2cnc3cnccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.50
HDAC1 Q13547 3/20 0.50
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.44
MMP13 P45452 1/20 0.43
CYP17A1 P05093 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PPARG P37231 2/20 0.43
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TNF P01375 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10468250 0.88 TP53 (0.59) HDAC6HDAC1MEN1TP53PABPC1
SCHEMBL9390726 0.84 HDAC6 (0.56) HDAC6HDAC1MEN1TP53PABPC1
SCHEMBL9390733 0.83 LMNA (0.48) HDAC6HDAC1LTA4HPPARGCYP11B1
SCHEMBL9302460 0.82 HDAC1 (0.71) HDAC6HDAC1CYP11B1CYP11B2HTT
SCHEMBL10467889 0.82 SMN1; SMN2 (0.59) HDAC6HDAC1TP53LTA4HPPARG
SCHEMBL13508711 0.80 CYP11B1 (0.65) LTA4HKDM4CCYP11B1CYP11B2HTT
SCHEMBL27441902 0.80 LTA4H (0.46) HDAC6HDAC1LTA4HKDM4CCYP11B1
SCHEMBL31229302 0.79 CYP11B1 (0.66) MEN1KMT2ALTA4HKDM4CCYP11B1
SCHEMBL10467940 0.79 HPGD (0.48) SMN1; SMN2LMNA
SCHEMBL26704721 0.79 CYP11B1 (0.68) LTA4HKDM4CCYP11B1CYP11B2HTT

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-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed