SCHEMBL13680664

SCHEMBL13680664

CC(=O)c1ccc(-c2cccc(C)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CYP2A6 P11509 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR1 P32246 1/20 0.48
CCR8 P51685 1/20 0.48
PGR P06401 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL6754322 0.87 KDM4E (0.57) KDM4EALDH1A1GLAGAACCR1
SCHEMBL14606354 0.76 CCR1 (0.62) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL13992608 0.75 CYP3A4 (0.49) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL1356959 0.75 LMNA (0.70) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL9374034 0.75 KDM4E (0.73) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL1575023 0.74 LMNA (0.59) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL8575623 0.73 LMNA (0.68) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL12569052 0.73 LMNA (0.68) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL13136597 0.73 JAK2 (0.44) KDM4ECYP2A6LMNAMAPTALDH1A1
SCHEMBL13136589 0.73 HDAC1 (0.50) KDM4ECYP2A6LMNAMAPTALDH1A1

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