SCHEMBL11262709

SCHEMBL11262709

CCOC(C)C(N)(C(=O)Nc1nc2cc3nc(NC(=O)C(N)(C(C)OCC)C(C)OCC)sc3cc2s1)C(C)OCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 16/20 0.45
RAB9A P51151 16/20 0.45
SMN1; SMN2 Q16637 12/20 0.45
ALDH1A1 P00352 6/20 0.45
PTPN1 P18031 3/20 0.43
TP53 P04637 4/20 0.42
STAT1 P42224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11253920 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL11264134 0.77 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11254514 0.76 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11255070 0.76 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11261919 0.73 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL11264970 0.72 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9963487 0.70 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL11255508 0.69 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL11253925 0.68 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9963609 0.67 PTPN1 (0.56) NPC1RAB9ASMN1; SMN2PTPN1TP53

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US disclosed