SCHEMBL9716063

SCHEMBL9716063

Cc1cccc(Cl)c1C(CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 4/20 0.43
CPB2 Q96IY4 4/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.37
AKR1B1 P15121 1/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
ITGA2 P17301 1/20 0.36
ITGB7 P26010 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9716058 0.88 CPN1 (0.49) CPN1CPB2MEN1KMT2AAKR1B1
SCHEMBL3060819 0.76 CXCL8 (0.46) PTGS2AKR1B1ALDH1A1LMNAMAPT
SCHEMBL13616663 0.76 LMNA (0.41) KMT2APTGS2AKR1B1ITGB1ITGA4
SCHEMBL3048207 0.72 PDK1 (0.39) MEN1KMT2APTGS2AKR1B1ITGB1
SCHEMBL845560 0.70 CYSLTR2 (0.43) MEN1KMT2AALDH1A1MAPT
SCHEMBL27825247 0.69 CYSLTR2 (0.42) ALDH1A1MAPT
SCHEMBL15590885 0.69 HDAC4 (0.37) PTGS2AKR1B1ALDH1A1LMNAMAPT
SCHEMBL16788646 0.69 HDAC4 (0.37) PTGS2AKR1B1ALDH1A1LMNAMAPT
SCHEMBL28608573 0.68 CXCL8 (0.48) ALDH1A1
SCHEMBL11286814 0.68 CYSLTR2 (0.47) MEN1KMT2AALDH1A1MAPT

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-5147752-A Crosslinked binder FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed