SCHEMBL9756876

SCHEMBL9756876

O=C(O)C=Cc1ccsc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.47
EIF2AK2 P19525 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
NFKB1 P19838 1/20 0.44
MIF P14174 1/20 0.43
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 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
SCHEMBL9756874 1.00 HCAR2 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL12078966 0.78 CA1 (0.50) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7869745 0.77 HCAR2 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6755631 0.75 CA12 (0.49) HCAR2CA1CA2HTTMAPT
SCHEMBL6755628 0.75 CA12 (0.49) HCAR2CA1CA2HTTMAPT
SCHEMBL9756843 0.73 AKR1C3 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL9756842 0.73 AKR1C3 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL22322786 0.73
SCHEMBL15609752 0.72 HCAR2 (0.46) HCAR2CA1CA2CA4NFKB1
SCHEMBL15609751 0.72 HCAR2 (0.46) HCAR2CA1CA2CA4NFKB1

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-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed