SCHEMBL7709005

SCHEMBL7709005

N=C(N)NC(=O)C1=Cc2ccccc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
CCR5 P51681 9/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL7714804 0.93 HSD17B10 (0.35) KDM1AGPR84CCR5
SCHEMBL7759560 0.91 NOTUM (0.33) KDM1AGPR84CCR5SMN1; SMN2HTT
SCHEMBL7385061 0.85 LMNA (0.34) CCR5MEN1NPC1MAPTRAB9A
SCHEMBL7376834 0.81 MAPT (0.38) SMN1; SMN2HTTMAOAMAOBALDH1A1
SCHEMBL29001777 0.81 KDM1A (0.40) KDM1AGPR84CCR5MAOAMAOB
SCHEMBL15821065 0.79 HDAC6 (0.44) KDM1AGPR84CCR5SMN1; SMN2MAOA
SCHEMBL950483 0.79 KDM1A (0.43) KDM1AGPR84SMN1; SMN2HTTMAOA
SCHEMBL18599627 0.78 GAA (0.43) KDM1AGPR84CCR5SMN1; SMN2MAOA
SCHEMBL7714886 0.75 MTNR1A (0.33) KDM1ASMN1; SMN2NPC1RAB9A
SCHEMBL7709019 0.75 ALDH1A1 (0.30) ALDH1A1RAB9A

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed