SCHEMBL11099706

SCHEMBL11099706

COC(=O)Cc1cnc(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
HPGDS O60760 1/20 0.47
TSHR P16473 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CPB1 P15086 1/20 0.42
PLA2G2A P14555 1/20 0.42
MAPK8 P45983 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL11094841 0.88 AR (0.50) ARLMNATP53RAB9APOLB
SCHEMBL11092968 0.85 HPGDS (0.49) HPGDSTSHRLMNASMN1; SMN2RAB9A
Water SCHEMBL11097766 0.84 HPGDS (0.48) HPGDSTSHRLMNASMN1; SMN2RAB9A
SCHEMBL4415107 0.79 AR (0.55) ARHPGDSTSHRLMNASMN1; SMN2
SCHEMBL2733465 0.78 POLB (0.60) HPGDSTSHRLMNASMN1; SMN2RAB9A
SCHEMBL14190001 0.74 SMN1; SMN2 (0.53) ARHPGDSTSHRLMNASMN1; SMN2
SCHEMBL4418297 0.74 HPGDS (0.51) ARHPGDSTSHRLMNASMN1; SMN2
SCHEMBL11102018 0.73 PTGDR2 (0.53) ARLMNAMAPTRAB9APLA2G2A
SCHEMBL5327448 0.73 AR (0.53) ARLMNAMAPTRAB9APLA2G2A
SCHEMBL2789865 0.72 CYP2C19 (0.58) TSHRLMNASMN1; SMN2POLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028833-B1 IMIDAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-25 EP disclosed
US-4340598-A Hypotensive imidazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-20 US disclosed
EP-0028833-A2 Imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 EP disclosed