SCHEMBL7657293

SCHEMBL7657293

CNC(=O)c1cc(-c2ccc3c(c2)OCO3)c2c3c(ccc2c1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.46
USP30 Q70CQ3 1/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 5/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2A P29274 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ADORA2B P29275 1/20 0.39
ABL1 P00519 1/20 0.39
GAPDH P04406 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL7652092 0.85 ALDH1A1 (0.50) MEN1GAAKMT2AADORA3ADORA1
SCHEMBL7659381 0.84 KDM4E (0.49) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL7652482 0.84 CHEK2 (0.47) GABRA1GABRB2GAPDHPRKD3CSNK1D
SCHEMBL7663316 0.84 GABRA1 (0.45) ADORA3ADORA1ADORA2AGABRA1GABRB2
SCHEMBL7652598 0.82 UCHL1 (0.48) UCHL1USP30MEN1LMNAGAA
SCHEMBL7652504 0.82 RAB9A (0.54) LMNAGAAKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7655814 0.81 FYN (0.50) MEN1KMT2AFYNRETKDR
SCHEMBL7662426 0.81 ADORA3 (0.43) MEN1GAAKMT2AADORA3ADORA1
SCHEMBL2954675 0.76 FABP3 (0.40) MEN1LMNAGAAKMT2AADORA3
SCHEMBL6913771 0.75 ALOX5 (0.48) MEN1LMNAGAAKMT2AADORA3

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