SCHEMBL7663113

SCHEMBL7663113

O=C1NCc2c1nc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.53
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CTNNB1 P35222 1/20 0.38
SRC P12931 1/20 0.38
NPC1 O15118 1/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
NISCH Q9Y2I1 1/20 0.36
MAP2K4 P45985 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MC4R P32245 1/20 0.36
PPARG P37231 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL8072699 0.82 ALOX5 (0.51) ALOX5MEN1KMT2ARAB9ATNKS
SCHEMBL7657958 0.80 ALOX5 (0.41) ALOX5MEN1KMT2ARAB9ATNKS
SCHEMBL2952410 0.80 ALOX5 (0.71) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL8084922 0.78 ALOX5 (0.53) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL8080604 0.75 ALOX5 (0.50) ALOX5MEN1KMT2ARAB9AKDM4E
SCHEMBL8080610 0.75 ALOX5 (0.50) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL2951382 0.74 ALOX5 (0.62) ALOX5MEN1KMT2ARAB9A
SCHEMBL2954139 0.74 ALOX5 (0.50) ALOX5MEN1KMT2ATNKSPARP1
Dimethylamine SCHEMBL8081518 0.73 ALOX5 (0.47) ALOX5MEN1KMT2ARAB9AKDM4E
SCHEMBL8085135 0.73 ALOX5 (0.47) ALOX5MEN1KMT2ARAB9AKDM4E

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
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed