SCHEMBL9536835

SCHEMBL9536835

N#CCNC(=O)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.60
HDAC8 Q9BY41 2/20 0.57
MMP3 P08254 1/20 0.57
CTSV O60911 1/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
HPGD P15428 3/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL7743035 0.85 PLK1 (0.62) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL28252959 0.84 HPGD (0.59) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL27419359 0.84 PLK1 (0.60) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL7417286 0.82 EGLN1 (0.53) HDAC8MMP3CTSVCTSLCTSB
SCHEMBL2117675 0.81 PLK1 (0.66) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL9312700 0.79 HPGD (0.64) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL18457265 0.79 PLK1 (0.62) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL5561110 0.78 HDAC8 (0.62) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL4721719 0.78 HDAC8 (0.62) PLK1HDAC8MMP3HPGDHDAC3
SCHEMBL10611437 0.78 HPGD (0.60) CTSVCTSLCTSSHPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549600-A1 5-TRIFLUOROACYLAMINO-2-ARYL OXAZOLES PFIZER INC. (US) 1993-07-07 EP disclosed
WO-1992005163-A1 5-TRIFLUOROACYLAMINO-2-ARYL OXAZOLES PFIZER INC. (US) 1992-04-02 WO disclosed
US-4785019-A ANTIGROWTH AGENTS CHEVRON RESEARCH COMPANY (US) 1988-11-15 US disclosed