SCHEMBL23715750

SCHEMBL23715750

CC(=O)Nc1c(C)ccc2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ GAA P10253 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NUDT1 P36639 1/20 0.48
▸ CLK1 P49759 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ IL1B P01584 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL26639952 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL26620234 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL20265238 0.77 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3314902 0.74 MEN1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30645379 0.74 MEN1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29728200 0.74 MEN1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL8856100 0.74 MEN1 (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4501549 0.74 P2RX7 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL20194455 0.73 KCNJ11 (0.59) ALDH1A1KMT2AMEN1GAAPKM
SCHEMBL30640474 0.73 KCNJ11 (0.59) ALDH1A1KMT2AMEN1GAAPKM

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
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 — — WO disclosed
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