SCHEMBL13680727

SCHEMBL13680727

CNc1ncc(-c2ccc(C)o2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 10/20 0.40
▸ RAB9A P51151 10/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ PKM P14618 1/20 0.40
▸ TP53 P04637 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NFKB1 P19838 1/20 0.36

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
SCHEMBL13680728 0.77 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13680724 0.75 DYRK1A (0.43) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL13680729 0.75 APAF1 (0.34) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL13681340 0.73 LOXL2 (0.44) ALDH1A1MAPTHTTL3MBTL1TDP1
SCHEMBL13681033 0.72 LMNA (0.38) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL14854115 0.71 TDP1 (0.48) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL14750526 0.70 TDP1 (0.42) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL13513650 0.69 KDR (0.66) LMNANPC1RAB9AMAPTCYP1A2
SCHEMBL13680700 0.68 MAP4K4 (0.41) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL20182414 0.67 ALDH1A1 (0.42) LMNANPC1RAB9ASMN1; SMN2PKM

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
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