SCHEMBL8999546

SCHEMBL8999546

CSc1nc(-c2ccc(C)cc2)ns1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTBP1 P26599 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
TNFSF10 P50591 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9567848 0.84 PTGS1 (0.49) PTGS1ALDH1A1LMNAMAPTTP53
SCHEMBL31126502 0.84 CYP19A1 (0.58) PTGS1ALDH1A1KDM4ELMNARAB9A
SCHEMBL9877197 0.84 ALDH1A1 (0.45) PTGS1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL8999567 0.84 RAB9A (0.50) PTGS1ALDH1A1KDM4ELMNARAB9A
SCHEMBL8999402 0.83 ADORA3 (0.53) PTGS1ALDH1A1LMNARAB9ANPC1
SCHEMBL9411058 0.81 MAPT (0.56) PTGS1ALDH1A1KDM4ELMNARAB9A
SCHEMBL31126522 0.80 PTGS1 (0.49) PTGS1ALDH1A1KDM4ELMNARAB9A
SCHEMBL12112411 0.76 ADORA3 (0.44) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL31126504 0.76 ALDH1A1 (0.46) PTGS1ALDH1A1KDM4ELMNARAB9A
SCHEMBL31126500 0.76 PTGS1 (0.46) PTGS1ALDH1A1KDM4ELMNARAB9A

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-0588007-B1 Use of thiadiazoles as antifouling agent WITCO GMBH (DE) 1996-09-11 EP disclosed
US-5332430-A Use of thiadiazole compounds as an antifouling active ingredient WITCO GMBH (DE) 1994-07-26 US disclosed
EP-0588007-A1 Use of thiadiazoles as antifouling agent Witco GmbH (DE) 1994-03-23 EP disclosed