SCHEMBL24426611

SCHEMBL24426611

C=N/C=C(\S)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ F2 P00734 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
SCHEMBL24426635 0.71 PARP1 (0.43) KDM4EHPGDSMN1; SMN2MEN1TP53
SCHEMBL14421309 0.70 GABBR2 (0.45) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL24426669 0.69 ALDH1A1 (0.39) HPGDALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL22703294 0.69 ALDH1A1 (0.46) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL8713874 0.69 CES2 (0.68) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL3399368 0.69 F2 (0.63) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL8222675 0.68 F2 (0.57) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL16309346 0.68 CES2 (0.67) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL2837486 0.67 CES2 (0.65) KDM4EHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL8242356 0.66 CES2 (0.58) KDM4EHPGDALDH1A1SMN1; SMN2MEN1

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-3998107-A1 METHOD FOR PRODUCING INSULIN-PRODUCING CELL USING DIHYDROINDOLIZINONE DERIVATIVES Tokyo Institute of Technology (JP) 2022-05-18 — — EP disclosed
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