SCHEMBL9518231

SCHEMBL9518231

COC(c1cccc2c1OC(C)(C)OC2)c1nc[nH]c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.30

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
Hydrochloric Acid SCHEMBL10538462 0.99 ALDH1A1 (0.33) ALDH1A1MAPK1KMT2A
SCHEMBL9518237 0.86 MAOB (0.33) ALDH1A1MAPK1KMT2AMAOB
Hydrochloric Acid SCHEMBL10542596 0.85 ALDH1A1 (0.34) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL9518249 0.78 ALDH1A1 (0.30) ALDH1A1MAPK1KMT2A
SCHEMBL9518460 0.71 ALDH1A1 (0.41) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL9518484 0.68 ALDH1A1 (0.31) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL9518257 0.68 MAOB (0.31) ALDH1A1MAPK1KMT2AMAOB
Hydrochloric Acid SCHEMBL9518627 0.67 ALDH1A1 (0.32) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL10800882 0.64 KMT2A (0.40) ALDH1A1KMT2A
SCHEMBL12191290 0.64 HTR1A (0.37) ALDH1A1MAPK1KMT2AMAOB

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
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed