SCHEMBL13680724

SCHEMBL13680724

COc1ncc(-c2ccc(C)o2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33

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 0.76 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13680727 0.75 LMNA (0.42) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL13680729 0.73 APAF1 (0.34) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL13681031 0.73 ERN1 (0.38) DYRK1ASLC6A3ERN1ALDH1A1MAPT
SCHEMBL13681340 0.72 LOXL2 (0.44) ALDH1A1MAPTHSD17B10TDP1POLB
SCHEMBL24921371 0.70 DYRK1A (0.40) DYRK1ASLC6A3ERN1ALDH1A1HPGD
SCHEMBL14854115 0.69 TDP1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL20182414 0.69 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL14750526 0.69 TDP1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL12578009 0.68 TDP1 (0.67) ALDH1A1MAPTHPGDSMN1; SMN2NPC1

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