SCHEMBL9628581

SCHEMBL9628581

CCCCCCc1cccc(NC2=NCCS2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
NPY1R P25929 2/20 0.41
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR3 Q99500 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9628458 0.84 POLB (0.53) POLBSMN1; SMN2HPGDALDH1A1NPY1R
SCHEMBL9628556 0.84 POLB (0.53) POLBSMN1; SMN2HPGDALDH1A1NPY1R
SCHEMBL9628041 0.84 POLB (0.53) POLBSMN1; SMN2HPGDALDH1A1NPY1R
SCHEMBL9629111 0.83 POLB (0.54) POLBSMN1; SMN2HPGDALDH1A1NPY1R
SCHEMBL9418466 0.79 LPL (0.56) LPLLIPGS1PR4S1PR1S1PR5
SCHEMBL29767685 0.79 LPL (0.56) LPLLIPGS1PR4S1PR1S1PR5
SCHEMBL11871771 0.79 LPL (0.56) LPLLIPGS1PR4S1PR1S1PR5
SCHEMBL9629092 0.79 POLB (0.55) POLBSMN1; SMN2HPGDALDH1A1NPY1R
SCHEMBL24244461 0.75 LPL (0.51) ALDH1A1LPLLIPGS1PR4S1PR1
SCHEMBL20921417 0.75 LPL (0.51) ALDH1A1LPLLIPGS1PR4S1PR1

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-0279398-B1 ANTIFUNGAL 2-ANILINOTHIAZOLINES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-18 EP disclosed
US-4788209-A INFECTIONS OF SKIN AND MUCOUS MEMBRANES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-29 US disclosed
EP-0279398-A1 Antifungal 2-anilinothiazolines MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-24 EP disclosed