Sugi Predict

Sugi Predict / Compounds / SCHEMBL27831990

SCHEMBL27831990

SCHEMBL27831990

CCC(C)n1cnc(C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ CPA1 P15085 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32

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
SCHEMBL27850520 0.85 ACHE (0.33) CPA1CPB2
SCHEMBL28807936 0.85 KDM5A (0.32) ADORA2AADORA2BADORA1KDM5ACPA1
SCHEMBL24809751 0.82 CPA1 (0.31) CPA1CPB2
SCHEMBL2937568 0.82 ALDH1A1 (0.34) ADORA2AADORA2BADORA1KDM5A
SCHEMBL14926161 0.82 ALDH1A1 (0.34) ADORA2AADORA2BADORA1KDM5A
SCHEMBL12039663 0.79 CPA1 (0.41) KDM5ACPA1CPB2
SCHEMBL13082710 0.76 ADORA2A (0.33) ADORA2AADORA2BADORA1KDM5A
SCHEMBL20907767 0.75 CPA1 (0.31) CPA1CPB2
SCHEMBL27940974 0.75 CPA1 (0.31) CPA1CPB2
SCHEMBL23115030 0.75 CPA1 (0.31) CPA1CPB2

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
CN-103361630-A Group 2 imidazolate formulations for direct liquid injection AIR PROD & CHEM 2013-10-23 — — CN disclosed
CN-102344413-A Volatile imidazoles and group 2 imidazole based metal precursors AIR PROD & CHEM 2012-02-08 — — CN disclosed