SCHEMBL11556986

SCHEMBL11556986

C=CCOc1ccc(OC)c(-c2nc3ccc(C(=O)OCCN4CCCC4)cc3c(=O)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ IL17A Q16552 1/20 0.39
▸ CHEK2 O96017 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ SLC29A1 Q99808 2/20 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
SCHEMBL11551327 0.87 ALDH1A1 (0.49) NPSR1KDM4EALDH1A1MAPTHPGD
SCHEMBL11553482 0.86 BRD4 (0.40) KMT2ANPSR1KDM4EALDH1A1MAPT
SCHEMBL11557400 0.86 NPSR1 (0.47) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL11550692 0.84 LMNA (0.43) NPSR1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL11549502 0.79 MEN1 (0.46) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL11550603 0.77 GUSB (0.47) NPSR1KDM4EALDH1A1POLBMAPT
SCHEMBL11552873 0.74 PDE5A (0.44) KMT2APOLBMAPTLMNACHEK2
SCHEMBL11556538 0.73 TSHR (0.47) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL11550624 0.73 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL11375670 0.72 GUSB (0.56) NPSR1KDM4EPOLBMAPTHPGD

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-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
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