SCHEMBL2885846

SCHEMBL2885846

c1csc(CCCc2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
TSHR P16473 1/20 0.47
HRH1 P35367 2/20 0.46
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
USP2 O75604 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL2882542 0.96 TAAR1 (0.53) TAAR1TSHRHRH1ADRA2AADRA2B
SCHEMBL2886837 0.88 TAAR1 (0.52) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL6333918 0.84 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL20135772 0.83 TAAR1 (0.73) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL2886214 0.82 CYP2A6 (0.54) TAAR1HRH1HRH4HRH3
SCHEMBL29720358 0.82 TAAR1 (0.59) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL8921330 0.80 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL2886638 0.79 TDP1 (0.57) TAAR1TSHRHRH1HRH4HRH3
SCHEMBL20146704 0.79 TAAR1 (0.73) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL9808857 0.78 TAAR1 (0.55) TAAR1TSHRADRA2AADRA2BADRA2C

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
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed