SCHEMBL19698802

SCHEMBL19698802

CC(C)C1CC(=O)N(CCCCCC(=O)NCC(=O)NCC(=O)Nc2ccc(CO)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCD Q05655 1/20 0.35

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
SCHEMBL19774664 0.92 SMN1; SMN2 (0.39) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL19698817 0.89 PKM (0.36) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL22220123 0.84 SMN1; SMN2 (0.39) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL19684093 0.83 SMN1; SMN2 (0.40) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL22000808 0.82 PKM (0.45) KMT2AALDH1A1SMN1; SMN2PKMHPGD
SCHEMBL22219876 0.81 HTR1A (0.36) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL19698840 0.81 KMT2A (0.35) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL22044805 0.81 KMT2A (0.42) KMT2AALDH1A1SMN1; SMN2PKMHPGD
SCHEMBL25748806 0.81 HDAC6 (0.41) ALDH1A1SMN1; SMN2HPGDHTR1A
SCHEMBL25748809 0.81 HDAC6 (0.41) ALDH1A1SMN1; SMN2HPGDHTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464280-B1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2021-10-06 — — EP disclosed
EP-3033111-B1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH INC (US) 2019-03-13 — — EP disclosed
EP-3082876-B1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH INC (US) 2018-01-17 — — EP disclosed
WO-2017214024-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2017-12-14 — — WO disclosed
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