SCHEMBL25145161

SCHEMBL25145161

Cc1cc2ccccc2n1CC(C)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
HTT P42858 3/20 0.51
PRMT5 O14744 1/20 0.49
TP53 P04637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
TSHR P16473 5/20 0.46
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL11506155 0.83 PRMT5 (0.54) MEN1KMT2AHTTPRMT5TP53
SCHEMBL10412483 0.83 MEN1 (0.52) MEN1KMT2AHTTPRMT5TP53
SCHEMBL18258180 0.83 KAT2B (0.40) MEN1KMT2AHTTPRMT5TP53
SCHEMBL3970730 0.79 TP53 (0.55) MEN1KMT2AHTTPRMT5TP53
SCHEMBL20532867 0.79 KAT2B (0.40) MEN1KMT2AHTTTP53KDM4E
SCHEMBL18247618 0.79 KAT2B (0.40) MEN1KMT2AHTTTP53KDM4E
SCHEMBL18247617 0.79 KAT2B (0.40) MEN1KMT2AHTTTP53KDM4E
SCHEMBL8877177 0.78 PRMT5 (0.50) MEN1KMT2AHTTPRMT5TP53
SCHEMBL20853336 0.78 PRMT5 (0.49) MEN1KMT2AHTTPRMT5TP53
SCHEMBL4098781 0.77 KAT2B (0.47) MEN1KMT2AHTTHDAC1HDAC8

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-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed