SCHEMBL10547959

SCHEMBL10547959

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50
▸ PSENEN Q9NZ42 1/20 0.50
▸ GSK3B P49841 1/20 0.46
▸ APLNR P35414 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ BMP1 P13497 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10548133 0.86 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10546639 0.76 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10549257 0.73 THRA (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9781284 0.72 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1458166 0.71 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3508311 0.71 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15058845 0.71 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10546095 0.70 KMT2A (0.44) GSK3BMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14599045 0.69 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25035714 0.68 TSHR (0.57) GSK3BAPLNRMEN1KMT2AALDH1A1

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
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