SCHEMBL7656216

SCHEMBL7656216

CNC(=O)c1cc(N2CCCCC2)c2cc3c(cc2n1)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.42
ALDH1A1 P00352 10/20 0.41
MAPT P10636 9/20 0.41
HPGD P15428 6/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
POLR1A O95602 1/20 0.38
PKM P14618 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7660385 0.99 OGA (0.42) OGAALDH1A1MAPTHPGDLMNA
SCHEMBL7663203 0.90 OGA (0.43) OGAALDH1A1MAPTHPGDLMNA
SCHEMBL7661575 0.90 PIK3CB (0.43) OGAALDH1A1MAPTHPGDLMNA
SCHEMBL7655787 0.81 OGA (0.44) OGAALDH1A1MAPTHPGDLMNA
SCHEMBL7658990 0.80 OGA (0.45) OGAALDH1A1MAPTHPGDLMNA
SCHEMBL8211686 0.75 HPGD (0.45) ALDH1A1MAPTHPGDSMN1; SMN2ALOX15
SCHEMBL7657251 0.71 L3MBTL1 (0.44) OGAALDH1A1MAPTHPGDLMNA
SCHEMBL7653917 0.71 OGA (0.46) OGAALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL18520607 0.65 ROCK2 (0.39) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL18520606 0.64 HPGD (0.39) ALDH1A1HPGDLMNASMN1; SMN2TSHR

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed