SCHEMBL29050545

SCHEMBL29050545

COc1ccc(C(=O)Cn2cc(-c3ccccc3)nn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.77
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ MGAM O43451 1/20 0.54
▸ AMY1A P0DUB6 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ SI P14410 1/20 0.54
▸ MGAM2 Q2M2H8 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ SNCA P37840 1/20 0.53
▸ KDR P35968 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL29050566 0.95 SRC (0.77) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL30531814 0.93 SRC (0.75) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL30531806 0.89 SRC (0.83) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL30531810 0.89 SRC (0.85) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL15863726 0.88 SRC (0.82) SRCMEN1KMT2AHPGDCASP3
SCHEMBL30531812 0.88 SRC (0.67) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL30531815 0.88 SRC (0.67) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL30531805 0.86 SRC (0.65) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL29050517 0.85 HSP90AA1 (0.65) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL29050533 0.85 SRC (0.70) SRCMEN1KMT2ANPC1RAB9A

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
CN-116589418-A 2-triazoloethane-1-one/alcohol HSP90/HIF-1 inhibitor and application thereof 大连理工大学 2023-08-15 — — CN disclosed
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