SCHEMBL11048906

SCHEMBL11048906

C=Cc1ccc(Cn2ccnc2CCCCCCCCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KCNH2 Q12809 6/20 0.45
HSP90AA1 P07900 2/20 0.40
POLB P06746 1/20 0.37
HDAC1 Q13547 1/20 0.37
HSP90B1 P14625 1/20 0.36

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
SCHEMBL11046427 0.85 HDAC1 (0.46) AGTR1AGTR2CA1CA2KCNH2
SCHEMBL11013827 0.83 AGTR1 (0.60) AGTR1AGTR2KCNH2HSP90AA1POLB
SCHEMBL5291955 0.83 AGTR1 (0.60) AGTR1AGTR2KCNH2HSP90AA1POLB
Hydrochloric Acid SCHEMBL28122561 0.82 AGTR1 (0.59) AGTR1AGTR2KCNH2HSP90AA1POLB
SCHEMBL11014930 0.82 AGTR1 (0.61) AGTR1AGTR2KCNH2HSP90AA1POLB
SCHEMBL31272211 0.78 CA1 (0.38) AGTR1AGTR2CA1CA2POLB
SCHEMBL31272374 0.78 CA1 (0.38) AGTR1AGTR2CA1CA2POLB
SCHEMBL31272585 0.78 CA1 (0.38) AGTR1AGTR2CA1CA2POLB
SCHEMBL31272363 0.78 CA1 (0.38) AGTR1AGTR2CA1CA2POLB
SCHEMBL29037510 0.78 AGTR1 (0.57) AGTR1AGTR2KCNH2HSP90AA1HDAC1

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-4430445-A POLYAMIDINE HOHO- AND COPOLYMERS; OXIDATION RESISTANCE; METAL EXTRACTION; POLYEPOXIDE CURING AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-02-07 US disclosed