SCHEMBL19867355

SCHEMBL19867355

O=[SH](=O)Nc1cccc2c1OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
ACVRL1 P37023 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ABCB1 P08183 1/20 0.39
FLT1 P17948 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
GSK3B P49841 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHB4 P54760 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
SYK P43405 1/20 0.36
MT-CO2 P00403 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
SCHEMBL507057 0.76 TTBK1 (0.47) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL28042597 0.76 TTBK1 (0.47) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL2505047 0.76 TTBK1 (0.50) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL28230659 0.75 ALDH1A1 (0.45) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL4025660 0.74 POLB (0.57) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL6823246 0.72 KDM4E (0.56) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL6316842 0.72 LMNA (0.56) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL16084001 0.72 ABCG2 (0.44) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL2502095 0.71 TTBK1 (0.43) POLBALDH1A1MAPK1KDM4ELMNA
SCHEMBL9258744 0.71 KDM4E (0.45) POLBALDH1A1MAPK1KDM4ELMNA

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-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed