SCHEMBL29528205

SCHEMBL29528205

CC(C)(C#N)NC(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.56
TSHR P16473 2/20 0.54
HDAC1 Q13547 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 3/20 0.50
AR P10275 1/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL9010792 0.85 TSHR (0.55) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL4043837 0.81 MEN1 (0.68) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL30433221 0.75 TSHR (0.59) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL3229709 0.74 TSHR (0.58) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL3240216 0.74 TSHR (0.58) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL4627393 0.74 HDAC1 (0.62) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL3127881 0.74 HDAC1 (0.62) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL12497851 0.74 TSHR (0.50) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL15709252 0.74 TSHR (0.50) TSHRHDAC1MEN1KMT2AALDH1A1
SCHEMBL9010814 0.73 TSHR (0.56) TSHRHDAC1MEN1KMT2AALDH1A1

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
CN-114269433-A Modulators of TMEM16A for the treatment of respiratory diseases TMEM16A有限公司 2022-04-01 CN disclosed