SCHEMBL9872292

SCHEMBL9872292

S=C1N=NC(=S)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
AGTR1 P30556 7/20 0.38
AGTR2 P50052 6/20 0.38
GRM2 Q14416 2/20 0.35
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KCNH2 Q12809 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
SCHEMBL9873248 0.82 AGTR1 (0.42) KDM4EAGTR1AGTR2
SCHEMBL9873687 0.81 AGTR1 (0.43) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9874581 0.80 AGTR1 (0.33) AGTR1AGTR2GRM2
SCHEMBL9854477 0.80 AGTR1 (0.45) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9872350 0.79 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9873574 0.79 AGTR1 (0.41) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9873969 0.79 AGTR2 (0.35) AGTR1AGTR2
SCHEMBL9879548 0.79 AGTR1 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9872818 0.79 AGTR1 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9871710 0.79 AGTR1 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A

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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed