SCHEMBL1725705

SCHEMBL1725705

Cn1cnc2cc(C(=O)NCC3CCCCC3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 7/20 0.56
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 3/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
NAMPT P43490 2/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL19465043 0.82 HPGD (0.58) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3457192 0.81 NAMPT (0.53) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL7982093 0.80 NAMPT (0.57) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL6112673 0.77 NAMPT (0.54) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL15992236 0.76 PPARG (0.55) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8360112 0.76 NAMPT (0.61) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10722498 0.75 HDAC6 (0.77) KMT2AMEN1SMN1; SMN2NAMPT
SCHEMBL4288472 0.74 HPGD (0.55) HPGDALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL16318591 0.74 NAMPT (0.60) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4287093 0.74 HPGD (0.60) HPGDALDH1A1LMNASMN1; SMN2NPC1

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-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed