SCHEMBL9706502

SCHEMBL9706502

COc1ccc(-c2csc(NC(=S)N3CCN(c4ccc(F)cc4)CC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
RAB9A P51151 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
MMP2 P08253 1/20 0.52
MMP8 P22894 1/20 0.52
KCNQ1 P51787 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
PHGDH O43175 1/20 0.51
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL9370676 0.88 ROCK1 (0.64) MAPTALDH1A1MAPK1RAB9ATDP1
SCHEMBL9371254 0.87 MMP2 (0.54) MAPTALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL9376122 0.87 KMT2A (0.55) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL9371002 0.87 MMP2 (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9371270 0.86 KCNQ1 (0.49) MAPTALDH1A1MAPK1RAB9ATDP1
SCHEMBL9371420 0.84 ACHE (0.57) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL9371474 0.84 ACHE (0.55) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL9378700 0.83 MAPT (0.65) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL9370647 0.82 KMT2A (0.54) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL9373421 0.81 SMN1; SMN2 (0.51) MAPTALDH1A1MAPK1SMN1; SMN2MEN1

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
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP disclosed