SCHEMBL2038892

SCHEMBL2038892

CC(C)(C)C(NC(=O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
IDO1 P14902 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
FPR1 P21462 2/20 0.48
MLKL Q8NB16 2/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL16516059 0.82 AAK1 (0.48) ALDH1A1CYP1A2L3MBTL1LMNA
SCHEMBL2937870 0.81 TSHR (0.63) KMT2AIDO1ALOX12CYP2C9CYP3A4
SCHEMBL17910431 0.81 RAB9A (0.53) KMT2ACYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL7478091 0.81 HSD17B10 (0.46) KMT2A
SCHEMBL5126955 0.80 KMT2A (0.39) KMT2ACYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL5129452 0.80 KMT2A (0.39) KMT2ACYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL6532735 0.77 KMT2A (0.50) KMT2AIDO1ALOX12CYP2C9CYP3A4
SCHEMBL2040504 0.77 PDE2A (0.48) KMT2A
SCHEMBL1928585 0.76 KDM4E (0.55) KMT2ACYP2C19ALDH1A1CYP1A2POLB
SCHEMBL29701262 0.75 IDO1 (0.54) KMT2AIDO1ALOX12CYP2C9CYP3A4

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed