SCHEMBL8002277

SCHEMBL8002277

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1cnc2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTR1A P08908 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2 Q05397 1/20 0.33
CCR1 P32246 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7999046 0.89 CNR2 (0.46) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL7990124 0.88 TOP2A (0.38) DRD2DRD3
SCHEMBL8005703 0.83 CYP19A1 (0.33) KMT2A
SCHEMBL7470125 0.82 VNN1 (0.34) NPC1ALDH1A1
SCHEMBL7989885 0.82 S1PR1 (0.33)
SCHEMBL7990339 0.82 PARP1 (0.34) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8002345 0.81 AR (0.30)
SCHEMBL8002706 0.81 LSS (0.34) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7999035 0.81 KMT2A (0.34) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL8000350 0.81

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