SCHEMBL2668321

SCHEMBL2668321

CC(C)(Oc1ccc2[nH]ccc2c1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
HDAC1 Q13547 1/20 0.43
F2 P00734 1/20 0.43
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
MAOB P27338 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL5813916 0.84 MAOA (0.49) MAOAHDAC1USP2GAAALOX15
SCHEMBL6500814 0.82 PPARA (0.56) MAOAHDAC1THRATHRB
SCHEMBL3791624 0.79 MAOA (0.48) MAOAHDAC1USP2GAAALOX15
SCHEMBL17008380 0.78 MAOA (0.61) MAOAHDAC1F2USP2GAA
SCHEMBL11813157 0.76 CYP1A2 (0.46) MEN1KMT2ACYP2A6
SCHEMBL30621292 0.76 MAOA (0.59) MAOAHDAC1USP2GAAALOX15
SCHEMBL27623659 0.76 MAOA (0.59) MAOAHDAC1USP2GAAALOX15
Pivalate SCHEMBL5567524 0.75 MAOA (0.55) MAOAHDAC1GAAMAOBTUBB4A
SCHEMBL272553 0.73 MAOA (0.64) MAOAHDAC1USP2GAAALOX15
SCHEMBL1196876 0.73 ABL1 (0.52) MAOAHDAC1USP2GAAALOX15

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-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 EP disclosed
WO-2008104994-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-09-04 WO disclosed