SCHEMBL6245320

SCHEMBL6245320

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ LMNA P02545 3/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ FNTA P49354 1/20 0.57
▸ FNTB P49356 1/20 0.57
▸ PKM P14618 1/20 0.55
▸ MPO P05164 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ CYP3A4 P08684 3/20 0.51
▸ AHR P35869 1/20 0.51
▸ GPR84 Q9NQS5 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
SCHEMBL3654754 0.86 MEN1 (0.71) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5717728 0.84 MAPT (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3262116 0.83 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29376364 0.83 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL40822 0.83 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4631680 0.83 MAPT (0.67) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4598405 0.82 MAPT (0.66) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30295582 0.82 MAPT (0.66) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4056623 0.81 MAPT (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4856078 0.81 MEN1 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 — — EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 — — EP disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 — — WO disclosed
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