SCHEMBL28162854

SCHEMBL28162854

CC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)NC(N)CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ HIF1A Q16665 4/20 0.49
▸ EPAS1 Q99814 4/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TSHR P16473 1/20 0.47

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
SCHEMBL28162851 0.83 KMT2A (0.55) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL28137071 0.81 HRH3 (0.53) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL28163317 0.80 HIF1A (0.48) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL28163359 0.79 SMN1; SMN2 (0.49) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL28163356 0.79 SMN1; SMN2 (0.49) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
Formaldehyde SCHEMBL28162776 0.79 KMT2A (0.61) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL28137827 0.78 KDM4E (0.47) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL28162774 0.75 KMT2A (0.56) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL24728688 0.74 HIF1A (0.68) KMT2AHIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL5095146 0.73 KMT2A (0.67) KMT2AHIF1AEPAS1NPC1SMN1; SMN2

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-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 — — CN disclosed
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