SCHEMBL19440976

SCHEMBL19440976

Cc1cccc(N2CCSC2)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.35
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
HTR7 P34969 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL598366 0.71 CA1 (0.50) ALDH1A1HPGDTSHRLMNA
SCHEMBL1006743 0.70 DPP4 (0.39) DPP4HPGDTSHRLMNAMEN1
SCHEMBL3436360 0.69 ADRB1 (0.60) ADRB1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL2074720 0.67 HTR1A (0.54) DPP4ALDH1A1HPGDTSHRMAPK1
SCHEMBL9059565 0.67 LGMN (0.46) ADRB1NOTUMALDH1A1NPSR1HPGD
SCHEMBL30645698 0.67 FAAH (0.40) ALDH1A1MAPK1HTR7
SCHEMBL28193095 0.66 DRD2 (0.57) ADRB1ALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL14883241 0.65 HCRTR1 (0.34) TSHRLMNAMEN1KMT2A
SCHEMBL19036690 0.63 HTR3E (0.38) DPP4NOTUMALDH1A1NPSR1MAPK1
SCHEMBL9060134 0.62 ALDH1A1 (0.55) ADRB1ALDH1A1HPGDSMN1; SMN2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783532-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed