SCHEMBL9628041

SCHEMBL9628041

CCCCCCCCc1ccc(NC2=NCCS2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
AOC3 Q16853 1/20 0.50
NPY1R P25929 9/20 0.49
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.43
UNG P13051 3/20 0.43

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 1.00 POLB (0.53) POLBAOC3NPY1RKMT2ASMN1; SMN2
SCHEMBL9628556 1.00 POLB (0.53) POLBAOC3NPY1RKMT2ASMN1; SMN2
SCHEMBL9629111 0.99 POLB (0.54) POLBAOC3NPY1RKMT2ASMN1; SMN2
SCHEMBL9629092 0.94 POLB (0.55) POLBAOC3NPY1RKMT2ASMN1; SMN2
SCHEMBL9628581 0.84 POLB (0.51) POLBNPY1RKMT2ASMN1; SMN2HPGD
SCHEMBL2391508 0.77 ESR1 (0.61) ALDH1A1UNG
SCHEMBL60027 0.77 ESR1 (0.61) ALDH1A1UNG
SCHEMBL294666 0.77 ESR1 (0.61) ALDH1A1UNG
SCHEMBL9330410 0.77 ESR1 (0.61) ALDH1A1UNG
SCHEMBL284616 0.77 ESR1 (0.61) ALDH1A1UNG

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 6 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 claimed
US-4788209-A INFECTIONS OF SKIN AND MUCOUS MEMBRANES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-29 US claimed
EP-0279398-A1 Antifungal 2-anilinothiazolines MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-24 EP claimed
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