SCHEMBL6107652

SCHEMBL6107652

CCC(CC(=O)O)n1cncn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
CYP19A1 P11511 3/20 0.36
LMNA P02545 1/20 0.36
CYP26A1 O43174 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90AA1 P07900 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 3/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL10626219 0.79 MAPT (0.42) MAPTEGLN3CYP19A1LMNAHSP90AA1
SCHEMBL2106586 0.77 MAPT (0.36) MAPTEGLN3CYP19A1LMNACYP26A1
SCHEMBL5440264 0.75 MAPT (0.49) MAPTEGLN3CYP19A1LMNACYP26A1
SCHEMBL22365110 0.74 CYP19A1 (0.36) MAPTCYP19A1CYP26A1CYP3A4CYP1A2
SCHEMBL23666063 0.72 FDPS (0.38) KMT2AACHEMEN1
SCHEMBL10900677 0.70 MAPT (0.44) MAPTEGLN3CYP19A1LMNACYP3A4
SCHEMBL2754295 0.70 MAPT (0.44) MAPTEGLN3CYP19A1LMNACYP3A4
SCHEMBL9240844 0.70 EGLN3 (0.38) MAPTEGLN3CYP19A1LMNACYP26A1
SCHEMBL9240851 0.70 EGLN3 (0.38) MAPTEGLN3CYP19A1LMNACYP26A1
SCHEMBL20981285 0.70 CYP19A1 (0.38) MAPTCYP19A1CYP26A1CYP3A4CYP1A2

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
US-7037925-B2 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2006-05-02 US disclosed