SCHEMBL28005157

SCHEMBL28005157

CC(=S)c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
LMNA P02545 2/20 0.31
XDH P47989 1/20 0.31
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
SCHEMBL10242672 0.81 XDH (0.49) ADORA3LMNAXDHKMT2A
SCHEMBL30439527 0.81 GAA (0.31)
SCHEMBL16766999 0.79 LMNA (0.36) METAP2METAP1LMNAMEN1KMT2A
SCHEMBL28005164 0.79 IDO1 (0.35) METAP2ADORA3LMNAMEN1KMT2A
SCHEMBL17303477 0.77 RXFP1 (0.44) LMNAMEN1KMT2A
SCHEMBL1111577 0.76 KDM4E (0.47)
SCHEMBL182044 0.75 ALDH1A1 (0.55) LMNAMEN1KMT2A
SCHEMBL3086806 0.74 MAPK1 (0.48) KMT2A
SCHEMBL4789775 0.74 ALDH1A1 (0.36) METAP2ADORA3LMNAXDH
SCHEMBL2765284 0.74 KMT2A (0.52) METAP2METAP1LMNAMEN1KMT2A

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
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed