SCHEMBL9340394

SCHEMBL9340394

COc1cccc(CSc2ncnn2C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 5/20 0.50
MAPT P10636 2/20 0.50
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.47
CYP2C19 P33261 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DAO P14920 1/20 0.46

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
SCHEMBL8445010 0.83 DAO (0.53) POLBALDH1A1KMT2AMAPTTSHR
SCHEMBL7369701 0.70 CYP1A2 (0.70) POLBCYP1A2
SCHEMBL23927284 0.70 CYP1A2 (0.60) POLBCYP1A2
SCHEMBL1145638 0.69 CYP1A2 (0.58) POLBCYP1A2NPC1LMNATP53
SCHEMBL25238218 0.69 MAOB (0.82) ALDH1A1KMT2AMEN1PKMTP53
SCHEMBL4205402 0.69 NPC1 (0.71) POLBALDH1A1KMT2AMAPTMEN1
SCHEMBL28497827 0.68 MAOB (0.51) POLBALDH1A1KMT2AMAPTCYP1A2
SCHEMBL24188255 0.68 CYP1A2 (0.57) POLBCYP1A2NPC1LMNATP53
SCHEMBL1145636 0.68 CYP1A2 (0.57) POLBCYP1A2NPC1LMNATP53
SCHEMBL28385092 0.67 LMNA (0.54) POLBALDH1A1KMT2AMAPTTDP1

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-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed