SCHEMBL8259902

SCHEMBL8259902

CSCCCN1C(=O)c2cccnc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.54
RXFP1 Q9HBX9 5/20 0.52
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL8694805 0.84 RXFP1 (0.58) HCRTR1RXFP1KMT2ACA1CA2
SCHEMBL14560536 0.82 RXFP1 (0.57) HCRTR1RXFP1KMT2ACA1CA2
SCHEMBL1856372 0.81 CYP1A2 (0.65) KMT2ACYP1A2CYP2C19TSHR
SCHEMBL4021415 0.81 RXFP1 (0.57) HCRTR1RXFP1KMT2ACA1CA2
SCHEMBL4021338 0.81 RXFP1 (0.57) HCRTR1RXFP1CA1CA2LMNA
SCHEMBL11872791 0.77 CYP1A2 (0.59) HCRTR1RXFP1KMT2ACA1CA2
SCHEMBL4796690 0.77 CYP1A2 (0.58) KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL20854901 0.75 TDP1 (0.58) KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL21616881 0.75 TDP1 (0.58) KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL9850718 0.74 HCRTR1 (0.62) HCRTR1RXFP1KMT2ALMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 WO disclosed