SCHEMBL8802820

SCHEMBL8802820

O=C(O)Cc1ccc2cc(C(=O)c3ccccc3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ PPARG P37231 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ EGFR P00533 2/20 0.45
▸ PIK3CA P42336 2/20 0.45

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
SCHEMBL8803198 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9AHDAC6
SCHEMBL19592646 0.80 NPC1 (0.66) NPC1RAB9AIDO1EGFRPIK3CA
SCHEMBL2729915 0.78 FLT3 (0.79) MEN1KMT2ANPC1RAB9AHDAC6
SCHEMBL6170605 0.78 MEN1 (0.78) MEN1KMT2ANPC1RAB9AHDAC6
SCHEMBL8802023 0.75 PPARG (0.49) MEN1KMT2APPARGIDO1KDM4E
SCHEMBL6170489 0.73 MEN1 (0.70) MEN1KMT2ANPC1RAB9AHDAC6
SCHEMBL16412569 0.72 KDM4E (0.54) MEN1KMT2ATSHRPPARGKDM4E
SCHEMBL20494370 0.72 HSD17B10 (0.60) MEN1KMT2ACYP1A2CYP2C9IDO1
SCHEMBL27669939 0.71 KMT2A (0.55) MEN1KMT2ANPC1RAB9AHDAC6
SCHEMBL7066259 0.71 FLT3 (0.71) MEN1KMT2ANPC1RAB9AHDAC6

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-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 — — EP disclosed
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