SCHEMBL8002387

SCHEMBL8002387

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ROCK2 O75116 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
ROCK1 Q13464 1/20 0.33
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8002443 0.91 MAPT (0.34) HTTSMN1; SMN2MAPTHCAR2
SCHEMBL8002706 0.87 LSS (0.34) HTTSMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL7470125 0.86 VNN1 (0.34) HTTALDH1A1NPC1PKM
SCHEMBL7999035 0.85 KMT2A (0.34) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL8001979 0.84 SRD5A2 (0.40) HTTSMN1; SMN2MAPTALOX15L3MBTL1
SCHEMBL7990339 0.84 PARP1 (0.34) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL8002345 0.84 AR (0.30)
SCHEMBL8002347 0.83 PRMT5 (0.30)
SCHEMBL7999106 0.82 CCR9 (0.33) KMT2AMEN1ALDH1A1TP53
SCHEMBL8000203 0.82 GAA (0.36) SMN1; SMN2RAB9AKMT2AGAANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed