SCHEMBL902129

SCHEMBL902129

COSP(=S)(c1ccccc1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HTT P42858 1/20 0.33
CYP2B6 P20813 1/20 0.32
TSHR P16473 1/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL3727258 0.84 ALDH1A1 (0.38) KMT2AALDH1A1LMNAMEN1NPSR1
SCHEMBL902866 0.81 LMNA (0.36) KMT2AALDH1A1LMNAMEN1CRHBP
SCHEMBL902100 0.78 HTT (0.35) KMT2AALDH1A1LMNAMEN1CRHBP
SCHEMBL902081 0.78 HTT (0.35) KMT2AALDH1A1LMNAMEN1CRHBP
SCHEMBL19145473 0.70 SMN1; SMN2 (0.43) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL901588 0.68 HTT (0.38) KMT2AALDH1A1LMNAMEN1CRHBP
SCHEMBL901683 0.67 HTT (0.37) KMT2AALDH1A1LMNAMEN1CRHBP
SCHEMBL3728129 0.65 CA12 (0.38) KMT2AALDH1A1LMNAMEN1CA12
SCHEMBL14420676 0.64 TSHR (0.49) KMT2AALDH1A1LMNAMEN1CA12
SCHEMBL31505112 0.64 HTT (0.47) LMNACA12CA1CA2CA4

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
WO-2012042227-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) 2012-04-05 WO disclosed