SCHEMBL627773

SCHEMBL627773

OC1CCCN(c2nn3cc(I)nc3s2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 18/20 0.43
THRB P10828 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 4/20 0.39
TP53 P04637 4/20 0.39
SMPD3 Q9NY59 1/20 0.37

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
SCHEMBL627772 0.75 HRH3 (0.41) THRBHRH3POLBLMNATP53
SCHEMBL624035 0.73 SMN1; SMN2 (0.40) MAPTLMNATP53
SCHEMBL626211 0.73 IRAK1 (0.48) MAPTTHRBPOLBLMNATP53
SCHEMBL627055 0.73 MAPT (0.48) MAPTTHRBLMNA
SCHEMBL627193 0.71 BTK (0.46)
SCHEMBL627088 0.69 MAPT (0.32) MAPTTHRB
SCHEMBL627226 0.68 CKS1B (0.46) MAPT
SCHEMBL627207 0.67 OPRM1 (0.39)
SCHEMBL627265 0.67 CKS1B (0.41) MAPTLMNA
SCHEMBL627767 0.66 L3MBTL1 (0.44) MAPTHRH3POLBLMNA

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
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed