SCHEMBL13195039

SCHEMBL13195039

COc1ccc2c(c1)n(CC1CCC(C(=O)Nc3cccc4ncccc34)CC1)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.47
▸ P2RX7 Q99572 2/20 0.44
▸ PIK3CA P42336 4/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PRKDC P78527 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 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
SCHEMBL11961802 0.93 RECQL (0.46) RECQLP2RX7PIK3CARAB9APRKDC
SCHEMBL13195022 0.88 ALDH1A1 (0.49) PIK3CAPRKDCTSHRMAPTSMN1; SMN2
SCHEMBL11961007 0.82 ALDH1A1 (0.48) PIK3CAPRKDCTSHRMAPTSMN1; SMN2
SCHEMBL13194934 0.82 PIK3CA (0.46) PIK3CAPRKDCKDM4ETSHRNPSR1
SCHEMBL13195114 0.81 MTNR1A (0.53) KDM4ETSHRMAPTMTNR1AMTNR1B
SCHEMBL13194941 0.81 PIK3CA (0.51) PIK3CAPRKDCKDM4EMTNR1AMTNR1B
SCHEMBL13194610 0.81 TNKS (0.46) PIK3CAPRKDCMTNR1AMTNR1BTP53
SCHEMBL13195122 0.81 PIK3CA (0.45) PIK3CAPRKDCTSHRMAPTSMN1; SMN2
SCHEMBL13194535 0.81 PIK3CA (0.45) P2RX7PIK3CAPRKDCTSHRMAPT
SCHEMBL13195017 0.80 MTNR1A (0.50) PIK3CAPRKDCNPSR1MAPTSMN1; SMN2

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
WO-2012136492-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-10-11 — — WO disclosed
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