SCHEMBL4631680

SCHEMBL4631680

NC(=O)[C](O)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ MEN1 O00255 7/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ HPGD P15428 1/20 0.67
▸ SLC6A2 P23975 1/20 0.63
▸ FNTA P49354 1/20 0.63
▸ FNTB P49356 1/20 0.63
▸ LMNA P02545 2/20 0.59
▸ MPO P05164 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ PKM P14618 1/20 0.56
▸ CYP3A4 P08684 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL5717728 0.85 MAPT (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Indole-3-Acetic Acid SCHEMBL2269865 0.85 MAPT (0.69) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL40822 0.85 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29376364 0.85 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3262116 0.85 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4598405 0.83 MAPT (0.66) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30295582 0.83 MAPT (0.66) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Indole-3-Acetic Acid SCHEMBL26344 0.83 MEN1 (0.75) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Indole-3-Acetic Acid SCHEMBL29350750 0.83 MEN1 (0.75) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Indole-3-Acetic Acid SCHEMBL7887240 0.83 MEN1 (0.75) MAPTMEN1KMT2AALDH1A1SMN1; 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-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 — — EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — WO disclosed
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