SCHEMBL11903992

SCHEMBL11903992

Cc1nn2ccsc2c1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALOX12 P18054 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3116095 0.85 CRHR1 (0.33) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10298265 0.79 POLB (0.37) LMNAPOLBMAPK1CYP1A2TDP1
SCHEMBL11904369 0.76 PIK3CA (0.34) LMNAPOLBHPGDMAPK1CYP1A2
SCHEMBL953097 0.76 ALDH1A1 (0.42) MAPK1CYP1A2TDP1ALOX12ALDH1A1
SCHEMBL11904180 0.62 MAPT (0.32) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31293788 0.61 CHEK1 (0.44) POLBHPGDESR2TDP1ALDH1A1
SCHEMBL15880376 0.59 ALDH1A1 (0.34) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1695044 0.59 MAPT (0.42) LMNAPOLBCYP1A2TDP1RAB9A
SCHEMBL14109593 0.58 PKM (0.55) LMNACYP1A2NPC1RAB9AALDH1A1
SCHEMBL9100453 0.57 MAPT (0.41) LMNAPOLBCYP1A2TDP1RAB9A

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
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed