SCHEMBL16612885

SCHEMBL16612885

Cc1cc(C)c(C#N)c(Oc2ccc3c(c2)CC(N)C(=O)N3O)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 7/20 0.55
▸ KYAT3 Q6YP21 3/20 0.55
▸ KYAT1 Q16773 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ GPR119 Q8TDV5 5/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL3847936 0.86 AADAT (0.55) AADATKYAT3KYAT1ALDH1A1
SCHEMBL3783110 0.85 AADAT (0.56) AADATKYAT3KYAT1GPR119
SCHEMBL3783795 0.81 AADAT (0.60) AADATKYAT3KYAT1
SCHEMBL3778808 0.80 AADAT (0.65) AADATKYAT3KYAT1SMN1; SMN2POLB
SCHEMBL3770746 0.78 AADAT (0.61) AADATKYAT3KYAT1
SCHEMBL3784387 0.78 AADAT (0.56) AADATKYAT3KYAT1
SCHEMBL6763386 0.77 AADAT (0.74) AADATKYAT3KYAT1
SCHEMBL3777393 0.77 AADAT (0.73) AADATKYAT3KYAT1
SCHEMBL3778920 0.76 AADAT (0.59) AADATKYAT3KYAT1
SCHEMBL3781828 0.76 AADAT (0.65) AADATKYAT3KYAT1

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 — — EP disclosed
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