SCHEMBL9047322

SCHEMBL9047322

COc1c(Cl)ncnc1N1CCNC(C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.48
PDE10A Q9Y233 9/20 0.46
HRH4 Q9H3N8 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ZAP70 P43403 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PDE1B Q01064 1/20 0.36
HTT P42858 1/20 0.36
AKT1 P31749 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
SCHEMBL9050661 0.81 HTT (0.45) ALDH1A1LMNAHTT
SCHEMBL9049074 0.77 AKT1 (0.54) KITPDE10AHRH4HTTAKT1
SCHEMBL29243325 0.75 KMT2A (0.46) ALDH1A1LMNAPDE1BHTT
SCHEMBL29243323 0.75 KMT2A (0.46) ALDH1A1LMNAPDE1BHTT
SCHEMBL30068001 0.75 KMT2A (0.46) ALDH1A1LMNAPDE1BHTT
SCHEMBL26647188 0.75 KMT2A (0.46) ALDH1A1LMNAPDE1BHTT
SCHEMBL4351559 0.75 KIT (0.46) KITPDE10AHRH4MAPK13MAPK12
SCHEMBL26600945 0.75 KIT (0.46) KITPDE10AHRH4MAPK13MAPK12
SCHEMBL3882291 0.75 MAPK13 (0.46) KITHRH4MAPK13MAPK12MAPK11
SCHEMBL3884627 0.75 MAPK13 (0.46) KITHRH4MAPK13MAPK12MAPK11

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
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed