SCHEMBL2776775

SCHEMBL2776775

Cc1nc2ccc(OC3CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC3)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 1/20 0.49
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.45
ACACB O00763 1/20 0.45
CCR1 P32246 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL2775932 0.86 KMT2A (0.46) SMN1; SMN2ALOX15KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL2777358 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALOX15KMT2ATP53MAPT
SCHEMBL6524551 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALOX15KMT2ATP53MAPT
SCHEMBL5098870 0.79 HRH1 (0.49) CCR1
SCHEMBL7083748 0.79 HRH1 (0.49) CCR1
SCHEMBL2775706 0.79 CCR1 (0.51) KMT2AACACBCCR1HRH3LMNA
SCHEMBL2775119 0.78 CCR1 (0.57) CCR1
SCHEMBL2775803 0.78 CCR1 (0.55) KMT2ACCR1HRH3LMNAATM
SCHEMBL2780495 0.78 CCR1 (0.55) KMT2ACCR1HRH3LMNAATM
SCHEMBL2774368 0.78 EPHX2 (0.50) MAPTACACBCCR1LMNAL3MBTL1

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-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed