SCHEMBL7987948

SCHEMBL7987948

O=c1[nH]c(-c2ccccc2)nc2ncn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.49
TNKS O95271 4/20 0.48
TNKS2 Q9H2K2 4/20 0.48
WNT3A P56704 2/20 0.48
HPGD P15428 1/20 0.48
PDE2A O00408 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CXCR2 P25025 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
PARP1 P09874 2/20 0.41
SCN2A Q99250 2/20 0.40
BRD4 O60885 1/20 0.40
PARP2 Q9UGN5 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
SCHEMBL7974486 0.89 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2
SCHEMBL7975265 0.89 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2
SCHEMBL7984971 0.89 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AHPGDMEN1
SCHEMBL7974069 0.89 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2
SCHEMBL7986518 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2
SCHEMBL7991402 0.86 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2
SCHEMBL7984716 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2
SCHEMBL7988015 0.85 HPGD (0.43) SMN1; SMN2ALDH1A1KMT2AHPGDMEN1
SCHEMBL7974445 0.84 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KMT2AHPGDCXCR2
SCHEMBL7974505 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KMT2ATNKSTNKS2

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed