SCHEMBL9518673

SCHEMBL9518673

CC1(C)OCc2cc(Cl)cc(Br)c2O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
AKT1 P31749 1/20 0.32
HTR2A P28223 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL9518641 0.81 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2A
SCHEMBL11116397 0.80 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2AAKT1HTR2A
SCHEMBL11113755 0.79 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2AAKT1HTR2A
SCHEMBL1005341 0.76 HTR2A (0.51) AKT1HTR2ASIRT2
SCHEMBL12191290 0.74 HTR1A (0.37) ALDH1A1MAPK1KMT2A
SCHEMBL30888630 0.73 AKT1 (0.42) AKT1HTR2ASIRT2
SCHEMBL8387152 0.72 TSHR (0.43) SIRT2
SCHEMBL2616011 0.71 ALDH1A1 (0.37) ALDH1A1MAPK1KMT2A
SCHEMBL14041574 0.71 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2A
SCHEMBL11114171 0.70 ALOX15 (0.35) ALDH1A1MAPK1KMT2AAKT1

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 3 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
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed