SCHEMBL2886837

SCHEMBL2886837

c1csc(CCc2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ADRA1D P25100 1/20 0.41
USP2 O75604 1/20 0.41
HIF1A Q16665 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL2882542 0.88 TAAR1 (0.53) TAAR1PTGS1PTGS2CYP17A1CYP11B1
SCHEMBL2885846 0.88 TAAR1 (0.53) TAAR1PTGS1PTGS2CYP17A1CYP11B1
SCHEMBL721007 0.83 TAAR1 (0.56) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL2030841 0.82 TAAR1 (0.71) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL2884688 0.81 CHRNA7 (0.52) TAAR1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL28985382 0.81 TAAR1 (0.54) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL6645686 0.81 CYP17A1 (0.56) TAAR1CYP17A1CYP11B1CYP11B2LOXL2
SCHEMBL28449371 0.78 TAAR1 (0.50) TAAR1PTGS1PTGS2LOXL2ADRA2A
SCHEMBL10963446 0.78 LMNA (0.49) TAAR1CYP3A4CYP2D6CYP2C19
SCHEMBL11660292 0.78 PTGS1 (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B

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 5 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
US-4746736-A THIENAMYCINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1988-05-24 US disclosed
US-4732977-A BACTERICIDES BRISTOL MYERS COMPANY (US) 1988-03-22 US disclosed
US-4644061-A Carbapenem antibiotics BRISTOL-MYERS COMPANY (US) 1987-02-17 US disclosed