SCHEMBL28071882

SCHEMBL28071882

NC(=O)COC(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
LMNA P02545 2/20 0.57
PKM P14618 1/20 0.55
MAOB P27338 1/20 0.55
ADORA2A P29274 1/20 0.55
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50

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
SCHEMBL11805605 0.86 CYP3A4 (0.60) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
Lobendazole SCHEMBL205437 0.83 LMNA (0.64) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
Lobendazole SCHEMBL29682294 0.83 LMNA (0.64) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28189904 0.81 CYP3A4 (0.69) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27450760 0.81 LMNA (0.57) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11868109 0.81 TUBB4A (0.65) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
Carbendazim SCHEMBL597320 0.81 CYP3A4 (0.68) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11806582 0.80 LMNA (0.59) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11808219 0.80 MTOR (0.57) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11807424 0.80 LMNA (0.56) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1

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
CN-104642368-B A kind of anti-low temperature pepper seed initiator SUZHOU PASTORAL AGRICULTURAL TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2016-05-25 CN disclosed