SCHEMBL27705945

SCHEMBL27705945

CCCCc1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NCF1 P14598 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ TLR7 Q9NYK1 4/20 0.44
▸ NOS1 P29475 2/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27594166 0.81 HPGD (0.51) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL27705943 0.80 CYP2C9 (0.46) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL25137036 0.79 HRH3 (0.62) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL30059176 0.78 HRH3 (0.59) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL546487 0.78 HRH3 (0.59) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL4779922 0.77 HRH3 (0.54) SMN1; SMN2RAB9ANPC1TP53TSHR
Ammonia Solution, Strong SCHEMBL548075 0.76 HRH3 (0.58) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL14615359 0.76 HRH3 (0.50) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL83489 0.76 SKP2 (0.61) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL27728431 0.74 MAPK14 (0.45) SMN1; SMN2RAB9ANPC1TP53TSHR

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
CN-101128461-B Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI 2010-12-22 — — CN disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 — — CN disclosed
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