SCHEMBL8002706

SCHEMBL8002706

O=C(c1ccncc1)c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 1/20 0.34
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 3/20 0.33
LTA4H P09960 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RAB9A P51151 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
SCHEMBL7470125 0.93 VNN1 (0.34) LSSALDH1A1HRH1HRH3MAPK1
SCHEMBL8001979 0.91 SRD5A2 (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL8000233 0.90 KDM4A (0.32)
SCHEMBL8002345 0.90 AR (0.30) AR
SCHEMBL8002443 0.89 MAPT (0.34) SMN1; SMN2HTTMAPT
SCHEMBL7990339 0.88 PARP1 (0.34) KMT2ASMN1; SMN2MEN1MAPTRAB9A
SCHEMBL8002387 0.87 HTT (0.47) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL7999035 0.87 KMT2A (0.34) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL7839566 0.87 KMT2A (0.39) KMT2AMEN1LMNAMAPTAR
SCHEMBL8005161 0.86 HPGD (0.38) KMT2ASMN1; SMN2ALDH1A1MEN1HPGD

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