SCHEMBL8001979

SCHEMBL8001979

Cc1ccc(C(=O)c2ccc(Cc3c(Cl)cc(N4N=CCNC4=O)cc3Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 5/20 0.34
MT-CO1 P00395 1/20 0.34
MT-CO2 P00403 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.92 VNN1 (0.34) SRD5A2ARMT-CO1MT-CO2ALDH1A1
SCHEMBL8002706 0.91 LSS (0.34) KMT2AMAPTARALDH1A1LMNA
SCHEMBL7999106 0.89 CCR9 (0.33) KMT2ATP53TDP1ARMT-CO1
SCHEMBL8002345 0.89 AR (0.30) AR
SCHEMBL7839566 0.88 KMT2A (0.39) KMT2ATP53MAPTTDP1AR
SCHEMBL8002378 0.87 KMT2A (0.41) KMT2ATP53MAPTTDP1AR
SCHEMBL8000233 0.87 KDM4A (0.32)
SCHEMBL7990339 0.87 PARP1 (0.34) KMT2AMAPTMEN1PARP1SMN1; SMN2
SCHEMBL8002443 0.86 MAPT (0.34) MAPTMT-CO1MT-CO2HTTSMN1; SMN2
SCHEMBL7999035 0.86 KMT2A (0.34) KMT2AMAPTTDP1ALDH1A1MEN1

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