SCHEMBL19828570

SCHEMBL19828570

CCN(CC)c1ccc2cc(C(=O)NCC(C)(C)OCCC(C)(C)C(=O)NN)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ATM Q13315 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MAOB P27338 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SLC16A3 O15427 1/20 0.51
▸ ALOX15 P16050 1/20 0.51

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
SCHEMBL580009 0.79 MEN1 (0.77) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL29611843 0.79 MEN1 (0.77) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL19828501 0.79 KDM4E (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL19828569 0.79 ALDH1A1 (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL10134566 0.78 AKR1B10 (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL14820431 0.77 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9303724 0.76 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL16293207 0.76 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13081989 0.75 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13403918 0.75 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564674-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2019-11-06 — — EP disclosed
EP-3276349-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2018-01-31 — — EP disclosed
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