SCHEMBL9651073

SCHEMBL9651073

CN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=S

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.70
▸ KMT2A Q03164 12/20 0.70
▸ POLB P06746 4/20 0.70
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAOA P21397 2/20 0.49
▸ MAPT P10636 4/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL9651078 1.00 MEN1 (0.70) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL2333243 0.85 MEN1 (0.81) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL15995453 0.85 MEN1 (0.81) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL2333246 0.85 MEN1 (0.81) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL17069352 0.83 KMT2A (0.62) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL2338592 0.82 KMT2A (0.77) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL2338597 0.82 KMT2A (0.77) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL9650252 0.82 MEN1 (0.79) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL9650247 0.82 MEN1 (0.79) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8606929 0.81 MEN1 (0.61) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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-5108887-A Zeromethine merocyanine dyes as J-aggregating spectral sensitizers for tabular emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-28 — — US disclosed
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