SCHEMBL627223

SCHEMBL627223

COC1CCN(c2nn3cc(I)nc3s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.40
THRB P10828 3/20 0.39
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL627055 0.83 MAPT (0.48) MAPTTHRBRXFP1GAALMNA
SCHEMBL628000 0.82 MAPT (0.42) MAPTTHRBRXFP1GAALMNA
SCHEMBL626841 0.74 F2RL3 (0.33)
SCHEMBL627222 0.74 LMNA (0.39) THRBRXFP1LMNATP53
SCHEMBL626887 0.73 CKS1B (0.48) MAPTTHRB
SCHEMBL627088 0.72 MAPT (0.32) MAPTTHRB
SCHEMBL627373 0.71 MAP3K12 (0.46) MAPTTHRB
SCHEMBL628264 0.68 BTK (0.51) MAPTTHRB
SCHEMBL22207215 0.67 IDO1 (0.42) HRH3
SCHEMBL3559247 0.64 HRH3 (0.55) MAPTLMNAHRH3

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