SCHEMBL8559872

SCHEMBL8559872

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(Br)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
HPN P05981 1/20 0.73
BLM P54132 6/20 0.67
MEN1 O00255 5/20 0.67
LMNA P02545 5/20 0.67
KMT2A Q03164 5/20 0.67
CA2 P00918 3/20 0.67
CA1 P00915 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
DNMT1 P26358 1/20 0.67
DUSP3 P51452 1/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
MCL1 Q07820 1/20 0.67
WRN Q14191 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL8561964 0.87 HTT (0.75) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL8569537 0.84 HTT (1.00) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL2030731 0.84 HPN (1.00) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL8563911 0.81 RAB9A (0.74) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL8561139 0.81 HTT (0.67) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL11875081 0.81 BLM (0.80) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL11863967 0.80 HTT (0.65) HTTSMN1; SMN2HPNBLMMEN1
SCHEMBL30640703 0.79 EPHX1 (1.00) HTTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL2683478 0.79 EPHX1 (1.00) HTTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL12642191 0.79 BLM (0.78) HTTSMN1; SMN2HPNBLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 US disclosed