SCHEMBL246127

SCHEMBL246127

Cc1cc2cc(CCN3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
PKM P14618 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL248097 0.80 NPC1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL252459 0.76 IDO1 (0.38) MAPTLMNASMN1; SMN2HPGDNPSR1
SCHEMBL246126 0.76 IDO1 (0.38) MAPTLMNASMN1; SMN2HPGDNPSR1
SCHEMBL16585132 0.76 HSD17B10 (0.46) HSD17B10PKMALDH1A1MAPTLMNA
SCHEMBL15321315 0.76 HSD17B10 (0.46) HSD17B10PKMALDH1A1LMNASMN1; SMN2
SCHEMBL248096 0.67 KDM4E (0.42) MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL248919 0.67 LMNA (0.42) HSD17B10PKMALDH1A1MAPTLMNA
SCHEMBL4437361 0.67 ALDH1A1 (0.41) PKMALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL23027794 0.66 LMNA (0.65) HSD17B10PKMALDH1A1MAPTLMNA
SCHEMBL28261467 0.65 HSD17B10 (0.55) HSD17B10PKMALDH1A1MAPTLMNA

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-2588468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003262-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed