SCHEMBL4948012

SCHEMBL4948012

COc1ccc(Oc2cc(C3(C)NCCN3)ccc2-c2cc(C(N)=O)on2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PARP10 Q53GL7 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTPN1 P18031 2/20 0.33
NAAA Q02083 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PARP1 P09874 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
SCHEMBL3986288 0.77 CYP1A2 (0.42) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3989829 0.76 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3980554 0.73 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3981454 0.70 SMN1; SMN2 (0.62) MAPTCYP1A2KDM4ESMN1; SMN2MEN1
SCHEMBL3990122 0.68 SMN1; SMN2 (0.41) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3989729 0.66 SCD (0.39) PARP10KMT2ARAB9ANPC1
SCHEMBL3981771 0.65 MKNK1 (0.40) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3981746 0.64 SMN1; SMN2 (0.61) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3990327 0.64 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3983068 0.63 SMN1; SMN2 (0.42) MAPTKDM4ESMN1; SMN2MEN1KMT2A

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
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed