SCHEMBL3508765

SCHEMBL3508765

CC(C)N(C(=O)O)c1ccc2c(NCCCN3CCOCC3)noc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 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
SCHEMBL3508760 0.79 HTR2A (0.39) ALDH1A1
SCHEMBL3504380 0.79 ALDH1A1 (0.48) ALDH1A1HTTACP1TP53MAPK1
SCHEMBL6951018 0.78 HRH3 (0.45) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL8377218 0.78 QPCT (0.40) ALDH1A1QPCTSMN1; SMN2KDM4EKMT2A
SCHEMBL3505069 0.77 GAA (0.45) ALDH1A1HTTFLT3SMN1; SMN2KDM4E
SCHEMBL8183130 0.75 CYP3A4 (0.47) ALDH1A1HTTHIF1AACP1TP53
SCHEMBL8184622 0.75 CYP3A4 (0.45) ALDH1A1HIF1ATP53ALOX15TSHR
SCHEMBL6956983 0.73 POLB (0.52) HTTHIF1AACP1TP53MAPK1
SCHEMBL3510105 0.73 ALDH1A1 (0.50) ALDH1A1HTTACP1TP53MAPK1
SCHEMBL3505581 0.72 HSP90AA1 (0.50) ALDH1A1HIF1AACP1TP53ALOX15

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
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
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