SCHEMBL174619

SCHEMBL174619

CCOC(=S)N(C)c1nnc(-c2cncc(F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 14/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 6/20 0.38
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.36
NPC1 O15118 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL255110 0.86 HSD17B10 (0.43) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL255976 0.86 HSD17B10 (0.34) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL174618 0.77 HSD17B10 (0.41) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL255154 0.75 KDM4E (0.46) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL174272 0.75 HSD17B10 (0.38) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL255975 0.75 HSD17B10 (0.34) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL22617515 0.73 TRPM8 (0.43) HSD17B10KDM4ERAB9AALDH1A1NPC1
SCHEMBL10246954 0.72 HSD17B10 (0.39) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL254828 0.71 HSD17B10 (0.39) HSD17B10TSHRKDM4ERAB9AALDH1A1
SCHEMBL255641 0.71 HSD17B10 (0.39) HSD17B10TSHRKDM4ERAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed