SCHEMBL10680104

SCHEMBL10680104

CCc1[nH]c(=O)ccc1C(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ CTNNB1 P35222 2/20 0.40
▸ WNT3A P56704 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ ADCY8 P40145 1/20 0.38
▸ ADCY1 Q08828 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL10679859 0.80 CTNNB1 (0.43) KMT2AALDH1A1RAB9ACES2CES1
SCHEMBL10676766 0.79 CDC7 (0.42) KMT2AALDH1A1RAB9ACES2CES1
SCHEMBL10675049 0.79 KMT2A (0.43) KMT2AALDH1A1RAB9ACES2CES1
SCHEMBL10681828 0.78 CDC7 (0.47) KMT2AALDH1A1RAB9ACES2CES1
SCHEMBL7384310 0.76 PDE3B (0.52) KMT2AALDH1A1RAB9ALMNAKDM4E
SCHEMBL7440629 0.76 PDE3B (0.59) KMT2AALDH1A1CES2CES1
SCHEMBL10680196 0.75 PDE3B (0.58) KMT2ALMNANAPRTKDM4ECDC7
SCHEMBL10680545 0.75 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1KDM4ENPC1
SCHEMBL18557316 0.74 KMT2A (0.53) KMT2AALDH1A1RAB9ACES2CES1
SCHEMBL10809119 0.72 HSD17B10 (0.39) KMT2ANPC1CDC7GAAMAPT

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-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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