SCHEMBL16705281

SCHEMBL16705281

c1nc(COc2ccc(-n3cnnn3)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 5/20 0.46
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.43
NOTUM Q6P988 2/20 0.43
ATF4 P18848 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
F2 P00734 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4207158 0.74 POLB (0.60) POLBBLMTDP1MAPTALDH1A1
SCHEMBL4203506 0.73 CYP3A4 (0.69) POLBBLMTDP1MAPTALDH1A1
SCHEMBL8795385 0.71 POLB (0.61) POLBBLMTDP1MAPTALDH1A1
SCHEMBL4088281 0.71 SLC6A3 (0.47) ALDH1A1PKMKMT2A
SCHEMBL8800604 0.71 ALDH1A1 (0.56) POLBMAPTALDH1A1HPGDKMT2A
SCHEMBL4205316 0.71 POLB (0.60) POLBBLMTDP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL8487010 0.70 POLB (0.59) POLBBLMTDP1MAPTALDH1A1
SCHEMBL1118437 0.70 GPR119 (0.66) POLBBLMTDP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL1661798 0.70 GPR119 (0.65) POLBBLMTDP1MAPTALDH1A1
SCHEMBL12615985 0.70 NOTUM (0.78) POLBBLMTDP1MAPTALDH1A1

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-2280704-B1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2015-05-13 EP disclosed