SCHEMBL20079735

SCHEMBL20079735

CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc(NC)c3C(=O)NC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL20079689 0.91 KMT2A (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20079665 0.73 HDAC1 (0.48) SMN1; SMN2
SCHEMBL10114146 0.71 RXFP1 (0.70) TP53ALDH1A1KDM4ERXFP1
SCHEMBL14754445 0.71 RAB9A (0.49) POLBMAPTTP53ALDH1A1MEN1
SCHEMBL20079645 0.70 CYP11B2 (0.44) MAPTTP53MEN1KMT2A
SCHEMBL19036473 0.69 YTHDC1 (0.44) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL9010469 0.69 IKBKB (0.36) TP53SMN1; SMN2NPC1RAB9A
SCHEMBL20079722 0.69 YTHDC1 (0.45) POLBL3MBTL1MAPTTP53ALDH1A1
SCHEMBL9312707 0.68 POLB (1.00) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL10113854 0.67 RXFP1 (0.74) TP53ALDH1A1KDM4ERXFP1

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-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — US disclosed
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