SCHEMBL5326550

SCHEMBL5326550

Cc1ccc2c(c1)-c1c(cnn1CC=O)CO2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ TP53 P04637 3/20 0.51
▸ THRB P10828 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL3188362 0.82 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3185870 0.78 MEN1 (0.76) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3185770 0.77 POLB (0.74) MEN1KMT2ACYP1A2CYP2C9POLB
SCHEMBL3178935 0.74 TSHR (0.77) MEN1KMT2ACYP1A2CYP2C9POLB
SCHEMBL3185894 0.74 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3195476 0.74 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3187107 0.74 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3189962 0.74 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3178853 0.72 MEN1 (0.62) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL3197854 0.72 POLB (0.72) MEN1KMT2ACYP1A2CYP2C9POLB

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
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — WO disclosed
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