SCHEMBL626405

SCHEMBL626405

Cc1cc(NC(C)(C)C)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL23836848 0.77 HPGD (0.41) SMN1; SMN2LMNA
SCHEMBL923029 0.75
SCHEMBL28160881 0.73
SCHEMBL10138657 0.73
SCHEMBL18233007 0.72 ALPL (0.42) GAAKMT2ANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL20476862 0.71
SCHEMBL13827683 0.71 HTT (0.42) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL628228 0.70
SCHEMBL921991 0.70
SCHEMBL13827584 0.70 TRPM8 (0.36) GAACYP1A2LMNA

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
WO-2012154880-A1 PROTEOSTASIS REGULATORS FOR TREATING CYSTIC FIBROSIS AND OTHER PROTEIN MISFOLDING DISEASES PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed
WO-2012019954-A1 PYRAZOLOPYRIDINE COMPOUNDS AS PDE10A INHIBITORS EVOTEC (UK) LTD. (GB) 2012-02-16 WO disclosed