SCHEMBL10909601

SCHEMBL10909601

CN(C)CCOc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
RAB9A P51151 5/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TERT O14746 1/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL10909950 0.94 TERT (0.45) CHRNB2CHRNA4RAB9AHPGDNPSR1
SCHEMBL10912048 0.93 POLB (0.46) CHRNB2CHRNA4RAB9ANPSR1KMT2A
SCHEMBL10911656 0.92 POLB (0.45) CHRNB2CHRNA4RAB9ANPSR1KMT2A
Nitric Acid SCHEMBL10909519 0.91 POLB (0.44) RAB9AHPGDNPSR1KMT2ATDP1
SCHEMBL10911877 0.89 MAPT (0.55) NPSR1KMT2APOLBHTT
SCHEMBL10913826 0.89 TERT (0.47) CHRNB2CHRNA4RAB9ANPSR1KMT2A
SCHEMBL10912064 0.88 PDK2 (0.45) RAB9AHPGDNPSR1KMT2ATDP1
SCHEMBL10913849 0.88 TERT (0.46) RAB9ANPSR1KMT2APOLBALDH1A1
SCHEMBL10912912 0.88 KMT2A (0.45) RAB9AHPGDNPSR1KMT2ATDP1
SCHEMBL10911875 0.88 L3MBTL1 (0.43) RAB9AHPGDNPSR1KMT2ATDP1

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