SCHEMBL9629092

SCHEMBL9629092

CCCCc1ccc(NC2=NCCS2)cc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
AOC3 Q16853 1/20 0.52
NPY1R P25929 11/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9629111 0.96 POLB (0.54) POLBAOC3NPY1RSMN1; SMN2KMT2A
SCHEMBL9628458 0.94 POLB (0.53) POLBAOC3NPY1RSMN1; SMN2KMT2A
SCHEMBL9628041 0.94 POLB (0.53) POLBAOC3NPY1RSMN1; SMN2KMT2A
SCHEMBL9628556 0.94 POLB (0.53) POLBAOC3NPY1RSMN1; SMN2KMT2A
SCHEMBL9628581 0.79 POLB (0.51) POLBNPY1RSMN1; SMN2KMT2AHPGD
SCHEMBL3545384 0.75 POLB (0.57) POLBAOC3NPY1RSMN1; SMN2KMT2A
SCHEMBL48879 0.75 HPGD (0.58) POLBSMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL14127779 0.75 HPGD (0.58) POLBSMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL8934607 0.74 AOC3 (0.47) POLBAOC3NPY1RKMT2ATSHR
SCHEMBL8934611 0.73 POLB (0.48) POLBAOC3NPY1RHPGD

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