SCHEMBL7988944

SCHEMBL7988944

NCCc1nc(O)c2c(ncn2CCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CNOT7 Q9UIV1 12/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA2A P29274 2/20 0.40
PKM P14618 1/20 0.39
CYP2A6 P11509 1/20 0.37
HTR2A P28223 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
KMT2A Q03164 1/20 0.35
PARN O95453 1/20 0.35

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
SCHEMBL7988857 0.93 CNOT7 (0.43) HTTCNOT7ADORA2ACYP2A6HTR2A
SCHEMBL7985637 0.89 SMN1; SMN2 (0.43) CNOT7ALDH1A1ADORA2APKMSMN1; SMN2
SCHEMBL7985082 0.89 HTT (0.46) HTTCNOT7ALDH1A1ADORA2APKM
Hydrochloric Acid SCHEMBL7987616 0.88 SMN1; SMN2 (0.42) CNOT7ALDH1A1ADORA2APKMSMN1; SMN2
SCHEMBL7974534 0.86 CNOT7 (0.45) HTTCNOT7ALDH1A1ADORA2APKM
SCHEMBL7984709 0.83 CNOT7 (0.42) HTTCNOT7ALDH1A1ADORA2AKMT2A
Hydrochloric Acid SCHEMBL7984350 0.82 CNOT7 (0.41) HTTCNOT7ALDH1A1ADORA2AKMT2A
SCHEMBL7987235 0.81 TSHR (0.46) HTTCNOT7ALDH1A1ADORA2AKMT2A
SCHEMBL7985319 0.81 SMN1; SMN2 (0.42) CNOT7ALDH1A1ADORA2APKMSMN1; SMN2
Hydrochloric Acid SCHEMBL7987745 0.81 SMN1; SMN2 (0.41) CNOT7ALDH1A1ADORA2APKMSMN1; SMN2

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