SCHEMBL11258152

SCHEMBL11258152

Cc1cccc(-c2nn(-c3ccccc3)cc2CO)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.73
NPC1 O15118 6/20 0.73
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
HSD17B10 Q99714 4/20 0.71
MAPK1 P28482 2/20 0.71
TSHR P16473 1/20 0.71
ALDH1A1 P00352 9/20 0.69
KDM4E B2RXH2 8/20 0.69
HPGD P15428 4/20 0.69
MAPT P10636 4/20 0.69
NPSR1 Q6W5P4 2/20 0.69
USP2 O75604 1/20 0.69
GAA P10253 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 2/20 0.59
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL11254175 0.86 KDM4E (0.76) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL11249366 0.85 KDM4E (0.93) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL11252112 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL11244106 0.84 ALDH1A1 (0.74) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL11250952 0.83 MEN1 (0.51) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL23400218 0.82 ALDH1A1 (0.54) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL11246386 0.81 ALDH1A1 (0.64) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL11246166 0.80 ALDH1A1 (0.76) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL6677998 0.78 LMNA (0.71) RAB9AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11240462 0.78 KDM4E (1.00) RAB9ANPC1MEN1KMT2AHSD17B10

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-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed