SCHEMBL13680955

SCHEMBL13680955

Cc1ccc(-c2nc(CCC=O)cs2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 4/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.37
PRMT1 Q99873 2/20 0.37
GFER P55789 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
SCHEMBL13681049 0.85 LMNA (0.38) GAAKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL13680954 0.84 KDM4E (0.40) GAAKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL13680953 0.84 LMNA (0.41) GAAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13680959 0.83 CYP19A1 (0.53) GAAKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL13680926 0.83 LMNA (0.56) KDM4ELMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL13680952 0.81 CPT1A (0.41) KDM4ELMNASMN1; SMN2CPT1AMAPT
SCHEMBL13680949 0.81 HPGDS (0.43) GAAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13681331 0.81 CHEK1 (0.41) GAAKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL7039927 0.80 KDM4E (0.60) GAAKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL13681042 0.80 RAB9A (0.36) GAAKDM4ELMNASMN1; SMN2RAB9A

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