SCHEMBL11713004

SCHEMBL11713004

Cn1cc2c(cc1=O)CCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAOA P21397 8/20 0.44
▸ MAOB P27338 8/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ CYP2A6 P11509 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ HSD17B1 P14061 2/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ CREBBP Q92793 2/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22492388 0.75 MAOA (0.45) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL29908277 0.71 PARP10 (0.51) GRM5
SCHEMBL21220902 0.71 BMPR1B (0.44) CREBBPBRD4
SCHEMBL8284440 0.71 MEN1 (0.69) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL4851604 0.69 MEN1 (0.47) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL3454654 0.69 MEN1 (0.73) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL1275258 0.68 MEN1 (0.55) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL20095715 0.68 BMPR1B (0.41) CREBBPBRD4
SCHEMBL25945154 0.67 MEN1 (0.70) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL30029603 0.67 HTR3A (0.42) MEN1KMT2AMAOAMAOBCREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053476-A 7-AZA-6-ALKOXY-1-TETRALONES G. D. SEARLE & CO. (US) 1977-10-11 — — US disclosed
US-4012391-A 11β-Alkyl-2-azaestratrienes and intermediates G. D. SEARLE & CO. (US) 1977-03-15 — — US disclosed
US-4007194-A Process and intermediates for manufacture of 2-azasterioids G. D. SEARLE & CO. (US) 1977-02-08 — — US disclosed
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