SCHEMBL11451676

SCHEMBL11451676

CNC(=S)Cn1cnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ APAF1 O14727 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HTT P42858 3/20 0.49
▸ FDPS P14324 2/20 0.49
▸ GGPS1 O95749 1/20 0.49
▸ CYP11B1 P15538 4/20 0.49
▸ CYP11B2 P19099 4/20 0.49
▸ TNF P01375 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47

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
SCHEMBL11498670 0.81 KDM4E (0.56) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL11450999 0.81 KDM4E (0.56) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL27864830 0.78 TDP1 (0.63) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL11450629 0.76 TDP1 (0.51) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL2882482 0.76 TDP1 (0.59) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL10881570 0.76 KDM4E (0.65) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL11577563 0.75 KDM4E (0.64) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL8327961 0.75 TDP1 (0.63) KDM4ENPC1TDP1APAF1SMN1; SMN2
SCHEMBL7160203 0.73 TDP1 (0.61) KDM4ENPC1TDP1CYP3A4CYP2D6
SCHEMBL1035783 0.73 EGLN3 (0.71) KDM4ENPC1TDP1CYP3A4CYP2D6

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-0006347-A1 Compositions and method for regulating soybean plant growth utilizing substituted benzazolylthioalkanoic acids MONSANTO COMPANY (US) 1980-01-09 — — EP disclosed
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