SCHEMBL7991667

SCHEMBL7991667

O=c1[nH]c(-c2cccc(F)c2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
ACP1 P24666 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PIN1 Q13526 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL7985787 0.94 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGDMKNK1
SCHEMBL7987251 0.94 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7985297 0.94 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7988952 0.93 GRIN1 (0.43) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7991634 0.93 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7985359 0.93 GRIN1 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7987307 0.93 GRIN1 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7988732 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7988635 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDACP1
SCHEMBL7985261 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AHPGDMKNK1

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