SCHEMBL29230091

SCHEMBL29230091

O=Cc1cc(C=Cc2ccc3ccccc3n2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ MAPT P10636 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ ECE2 P0DPD6 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ CYSLTR2 Q9NS75 6/20 0.60
▸ CYSLTR1 Q9Y271 6/20 0.60
▸ PKM P14618 1/20 0.55
▸ GLA P06280 2/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ RXFP1 Q9HBX9 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
SCHEMBL29230090 1.00 KDM4E (0.61) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL3860498 0.84 RAB9A (0.69) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL12866125 0.84 RAB9A (0.69) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL12881881 0.81 CYSLTR2 (0.60) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL12894580 0.80 CYSLTR2 (0.68) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL6177052 0.79 RAB9A (0.74) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL6177049 0.79 RAB9A (0.74) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL12884278 0.79 RAB9A (0.73) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL5708661 0.79 CYSLTR2 (0.68) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL5708663 0.79 CYSLTR2 (0.68) KDM4ERAB9AMAPTMEN1KMT2A

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-118164906-A Detect H2Near infrared fluorescent probe of S and preparation and application thereof 上海应用技术大学 2024-06-11 — — CN disclosed
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