SCHEMBL11616397

SCHEMBL11616397

CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)nn1Cc1ccc2c(c1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ FAAH O00519 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ MAPT P10636 4/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL11619505 0.91 POLB (0.42) MEN1KMT2AFAAHSMN1; SMN2NPSR1
SCHEMBL6608161 0.74 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2HTTPDE4A
SCHEMBL11614116 0.73 PTGIR (0.44) SMN1; SMN2LMNAKDM4EPTGIR
SCHEMBL11471800 0.70 CYP1A2 (0.40) MEN1KMT2AFAAHSMN1; SMN2NPSR1
SCHEMBL11611698 0.70 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL8890615 0.65 HTT (0.51) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL11614807 0.63 PTGDR2 (0.42) MEN1KMT2ANPSR1HTTDHODH
SCHEMBL11615729 0.63 TP53 (0.45) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL11616871 0.63 GAA (0.44) MEN1KMT2AFAAHSMN1; SMN2HTT
SCHEMBL3494751 0.63 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2NPSR1HTT

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-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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