SCHEMBL28455352

SCHEMBL28455352

O=C(Nc1nnc(C2CCCO2)s1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
POLB P06746 3/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
HSD17B10 Q99714 3/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.52
USP2 O75604 2/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CCR6 P51684 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL28454450 0.80 TDP1 (0.49) NPC1RAB9APOLBMAPTGAA
SCHEMBL7485465 0.78 DDIT3 (0.53) NPC1RAB9APOLBSMN1; SMN2GAA
SCHEMBL7485300 0.76 DDIT3 (0.52) NPC1RAB9APOLBSMN1; SMN2GAA
SCHEMBL4468305 0.72 ALDH1A1 (0.68) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL7486429 0.71 DDIT3 (0.47) NPC1RAB9APOLBSMN1; SMN2GAA
SCHEMBL28452446 0.71 TDP1 (0.40) NPC1RAB9APOLBGAAL3MBTL1
SCHEMBL7482315 0.71 RAB9A (0.50) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL7483947 0.70 RAB9A (0.52) NPC1RAB9APOLBMAPTGAA
SCHEMBL16919100 0.70 ALDH1A1 (0.58) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL7484123 0.69 KMT2A (0.55) NPC1RAB9APOLBMAPTSMN1; SMN2

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
CN-109535146-B Antituberculous compound and its preparation method and use 中国医学科学院医药生物技术研究所 2020-09-22 CN claimed
CN-109535146-B Antituberculous compound and its preparation method and use 中国医学科学院医药生物技术研究所 2020-09-22 CN disclosed