SCHEMBL10548133

SCHEMBL10548133

COc1ccc(CN(C(=O)c2ccc(C(C)=O)o2)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.53
▸ PSEN2 P49810 1/20 0.53
▸ APH1B Q8WW43 1/20 0.53
▸ NCSTN Q92542 1/20 0.53
▸ APH1A Q96BI3 1/20 0.53
▸ PSENEN Q9NZ42 1/20 0.53
▸ APLNR P35414 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSPO P30536 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BMP1 P13497 1/20 0.41
▸ LDHA P00338 1/20 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
SCHEMBL10547959 0.86 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9781284 0.74 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10547612 0.74 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10548265 0.71 THRA (0.41) MEN1KMT2ATDP1
SCHEMBL14599045 0.71 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23747408 0.70 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL15209900 0.70 LDHA (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4676834 0.69 ALDH1A1 (0.60) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL15209971 0.69 LDHA (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11229863 0.69 ATM (0.68) PSEN1PSEN2APH1BNCSTNAPH1A

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-4814341-A HISTAMINE H2 ANTAGONISTS REITER LAWRENCE A (US) 1989-03-21 — — US disclosed
Send feedback