SCHEMBL6629105

SCHEMBL6629105

NC(=O)On1ccnc1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CXCL12 P48061 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.34
VCP P55072 1/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5646906 0.80 HPGD (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5647643 0.79 LMNA (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5646943 0.78 HPGD (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11478684 0.71 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5649334 0.71 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11479057 0.70 MEN1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL5649176 0.69 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6631777 0.69 NPC1 (0.44) ALDH1A1SMN1; SMN2HPGDNPC1LMNA
SCHEMBL11378393 0.68 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11500179 0.68 LMNA (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed