SCHEMBL6333310

SCHEMBL6333310

CCCCc1ccc(Oc2cccc(N)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SKP2 Q13309 1/20 0.41
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL8685747 0.91 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19
SCHEMBL6322998 0.85 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19SKP2
SCHEMBL9138002 0.82 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTR2A
SCHEMBL8824338 0.80 GAA (0.41)
SCHEMBL16890696 0.80 CA1 (0.40) CA2
SCHEMBL6327218 0.78 IDO1 (0.41)
SCHEMBL5078385 0.78 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19
SCHEMBL6333313 0.77 SLC6A4 (0.41)
SCHEMBL6327863 0.77 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19
SCHEMBL145761 0.76 LTA4H (0.52) S1PR1S1PR3CA2SMN1; SMN2HTR2A

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-20050272608-A1 Polyimide metal laminate and its production method MITSUI CHEMICALS, INC. (JP) 2005-12-08 US disclosed