SCHEMBL10914068

SCHEMBL10914068

CN(C)CCOc1cccc2c1C(=O)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 2/20 0.45
▸ FTO Q9C0B1 1/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ HEXA P06865 1/20 0.41
▸ HEXB P07686 1/20 0.41
▸ ATM Q13315 2/20 0.41

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
SCHEMBL10912075 0.94 ALDH1A1 (0.47) PABPC1FTORAB9ANPC1MEN1
SCHEMBL10909868 0.94 ALDH1A1 (0.46) PABPC1FTORAB9ANPC1MEN1
SCHEMBL10950906 0.87 MAOB (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL10912465 0.86 MAOB (0.43) RAB9ANPC1MEN1KMT2ATSHR
Dimethylamine SCHEMBL10912082 0.84 RAB9A (0.45) FTORAB9ANPC1MEN1KMT2A
Dimethylamine SCHEMBL10914075 0.83 RAB9A (0.43) FTORAB9ANPC1MEN1KMT2A
SCHEMBL10911938 0.83 MAOB (0.43) RAB9ANPC1MEN1KMT2AALDH1A1
Diethylamine SCHEMBL10912470 0.83 RAB9A (0.43) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL10912182 0.82 BCHE (0.44) —
SCHEMBL10912079 0.82 RAB9A (0.45) RAB9ANPC1MEN1KMT2ATSHR

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-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
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