SCHEMBL7984971

SCHEMBL7984971

O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CXCR2 P25025 1/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
STAT6 P42226 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7974069 0.94 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CXCR2KMT2AHPGD
SCHEMBL7988015 0.90 HPGD (0.43) ALDH1A1SMN1; SMN2CXCR2KMT2AHPGD
SCHEMBL7987948 0.89 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CXCR2KMT2AHPGD
SCHEMBL7987251 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AHPGDCYP1A2
SCHEMBL7975265 0.86 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL7974010 0.85 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2CXCR2KMT2AHPGD
SCHEMBL7984655 0.85 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AHPGDKDM4E
Hydrochloric Acid SCHEMBL7987658 0.84 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AHPGDKDM4E
SCHEMBL7985332 0.84 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2CXCR2KMT2AHPGD
SCHEMBL7988590 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AHPGDNPC1

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