SCHEMBL27714367

SCHEMBL27714367

Cc1c(C#N)ccc(I)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GRM6 O15303 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TTR P02766 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL14138740 0.82 AR (0.43) ARTSHRDYRK1AALDH1A1TTR
SCHEMBL17570551 0.81 TSHR (0.42) ARTSHRGRM6ALDH1A1HPGD
SCHEMBL29331537 0.80 ALDH1A1 (0.35) TSHRGRM6ALDH1A1HPGDHTT
SCHEMBL29398131 0.77 TSHR (0.44) ARTSHRGRM6ALDH1A1HPGD
SCHEMBL8852021 0.77 TSHR (0.44) ARTSHRGRM6ALDH1A1HPGD
SCHEMBL24196688 0.75 ALDH1A1 (0.36) TSHRDYRK1AALDH1A1HPGDTTR
SCHEMBL1585098 0.75 AR (0.52) ARTSHRALDH1A1NISCHCYP2A6
SCHEMBL6982992 0.74 AR (0.37) ARTSHRGRM6ALDH1A1HPGD
SCHEMBL9575173 0.74 GRM6 (0.41) ARTSHRGRM6ALDH1A1HTT
SCHEMBL16122042 0.74 TRPV4 (0.41) ARTSHRGRM6

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
CN-101184760-A Heterocyclic spiro-compounds SPEEDEL EXPERIMENTA AG (CH) 2008-05-21 — — CN disclosed
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