SCHEMBL8551683

SCHEMBL8551683

CCC(=O)Nc1nc(C(F)(F)F)c(C#N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RY1 P47900 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL9893125 0.87 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1CYP1A2TP53
SCHEMBL8553674 0.81 P2RY1 (0.37) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL20481554 0.78 P2RY1 (0.39) SMN1; SMN2KMT2AMEN1TP53RAB9A
SCHEMBL8552542 0.76 RAB9A (0.47) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL8555203 0.76 P2RY1 (0.43) SMN1; SMN2KMT2ANPC1ALDH1A1HPGD
SCHEMBL8553290 0.74 LRRK2 (0.49) SMN1; SMN2KMT2AMEN1CYP1A2RAB9A
SCHEMBL12195699 0.74 RIPK1 (0.36) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL9224524 0.72 P2RY1 (0.43) SMN1; SMN2KMT2AMEN1RAB9AALDH1A1
SCHEMBL8553127 0.72 MEN1 (0.39) SMN1; SMN2KMT2AMEN1CYP1A2ALDH1A1
SCHEMBL8551449 0.72 GRM4 (0.55) SMN1; SMN2KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566138-B1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO LTD (JP) 1998-11-18 EP claimed
EP-0566138-A1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO., LTD. (JP) 1993-10-20 EP claimed
EP-0566138-B1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO LTD (JP) 1998-11-18 EP disclosed
EP-0566138-A1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO., LTD. (JP) 1993-10-20 EP disclosed