SCHEMBL7990274

SCHEMBL7990274

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
PARP1 P09874 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36

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
SCHEMBL8002451 0.84 MAP2K1 (0.41) HDAC1HDAC6KMT2AMEN1KDR
SCHEMBL8004871 0.83 MAPT (0.37) SMN1; SMN2NPSR1KMT2AMAPTHTT
SCHEMBL7470125 0.83 VNN1 (0.34) HTTALDH1A1HRH3
SCHEMBL8000417 0.82 MEN1 (0.34) SMN1; SMN2KMT2AMAPTALDH1A1PARP1
SCHEMBL8002706 0.82 LSS (0.34) SMN1; SMN2NPSR1HDAC1HDAC6KMT2A
SCHEMBL8000201 0.81 CNR2 (0.41) TP53HDAC6KMT2AMAPTMEN1
SCHEMBL8001979 0.81 SRD5A2 (0.40) TP53SMN1; SMN2KMT2AMAPTHTT
SCHEMBL8002345 0.80 AR (0.30)
SCHEMBL7998737 0.80 KLKB1 (0.36) SMN1; SMN2KMT2AMAPTHTTALDH1A1
SCHEMBL8002443 0.80 MAPT (0.34) SMN1; SMN2MAPTHTT

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