SCHEMBL12567046

SCHEMBL12567046

Cc1cc(=C(C#N)C#N)c(C(C)C)cc1=C(C#N)C#N

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL258960 0.83 EGFR (0.32) LMNAEGFRKDM4EALDH1A1
SCHEMBL14154041 0.74 — —
SCHEMBL6549755 0.72 GABRA1 (0.33) GABRA1GABRB1KDM4EALDH1A1
SCHEMBL6549783 0.72 TTR (0.34) —
SCHEMBL6550709 0.72 MEN1 (0.30) —
SCHEMBL12445192 0.69 — —
SCHEMBL20867325 0.69 EGFR (0.39) LMNAEGFRKDM4EALDH1A1
SCHEMBL12546325 0.65 GABRA1 (0.32) GABRA1GABRB1EGFRCA1CA2
SCHEMBL12217380 0.65 ALDH1A1 (0.34) LMNAKDM4EALDH1A1
SCHEMBL6551594 0.64 MEN1 (0.33) LMNA

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-20110136973-A1 POLYBENZOTHIOPHENE POLYMERS AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2011-06-09 — — US disclosed
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