SCHEMBL24829776

SCHEMBL24829776

CC1CN(Cc2csc(NC(=O)c3ccco3)n2)CC(C)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.60
▸ RAB9A P51151 10/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ HTT P42858 4/20 0.57
▸ LMNA P02545 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ BRPF1 P55201 1/20 0.52
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ POLB P06746 4/20 0.49
▸ CLK1 P49759 2/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 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
SCHEMBL93095 0.79 ALDH1A1 (0.75) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL15915957 0.77 KDM4E (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1543141 0.76 BRPF1 (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL24829792 0.71 SIRT1 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL31222214 0.71 AR (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL77992 0.69 HTT (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL27754068 0.69 HTT (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL15935591 0.68 KDM4E (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL18537754 0.68 HTT (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL3601123 0.68 RAB9A (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2HTT

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
EP-4111863-A1 PHOSPHORUS USE EFFICIENCY ENHANCERS AS PLANT GROWTH PROMOTORS EuroChem Antwerpen (BE) 2023-01-04 — — EP disclosed
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