SCHEMBL11729992

SCHEMBL11729992

CN1Cc2cccnc2N(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.50
MTOR P42345 10/20 0.50
ALDH1A1 P00352 3/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
AR P10275 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KCNN4 O15554 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL11732890 0.85 DRD2 (0.43) PIK3CAMTORALDH1A1DRD2DRD3
SCHEMBL11733729 0.85 KCNN4 (0.45) PIK3CAMTORALDH1A1DRD2DRD3
SCHEMBL11730134 0.84 ALDH1A1 (0.44) PIK3CAMTORALDH1A1MEN1KMT2A
SCHEMBL11730243 0.84 DRD2 (0.44) PIK3CAMTORALDH1A1DRD2DRD3
SCHEMBL11734384 0.83 SMN1; SMN2 (0.54) ALDH1A1DRD2DRD3KCNH2MEN1
SCHEMBL11735194 0.83 DRD2 (0.41) PIK3CAMTORALDH1A1DRD2DRD3
SCHEMBL11732830 0.81 LMNA (0.44) ALDH1A1EGFR
SCHEMBL11729339 0.81 ALDH1A1 (0.44) ALDH1A1DRD2DRD3KCNH2MEN1
SCHEMBL11278353 0.80 MEN1 (0.56) PIK3CAMTORALDH1A1DRD2DRD3
SCHEMBL11733576 0.80 MEN1 (0.48) ALDH1A1ARMEN1KMT2ACYP1A2

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
US-4009166-A ANTIINFLAMMATORY AGENTS, ANALGESICS, CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1977-02-22 US claimed
US-4009166-A ANTIINFLAMMATORY AGENTS, ANALGESICS, CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1977-02-22 US disclosed