SCHEMBL8028095

SCHEMBL8028095

CCOC(=O)Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.48
CNR2 P34972 3/20 0.45
CNR1 P21554 1/20 0.45
AGTR2 P50052 1/20 0.42
GNRHR P30968 1/20 0.41
NR1I2 O75469 2/20 0.41
ALOX5AP P20292 1/20 0.41
BRPF1 P55201 2/20 0.40
BRD1 O95696 1/20 0.40
BRPF3 Q9ULD4 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMARCA2 P51531 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8030061 0.93 F2 (0.48) F2CNR2BRPF1BRD1BRPF3
SCHEMBL8028160 0.92 F2 (0.53) F2CNR2CNR1BRPF1BRD1
SCHEMBL8026445 0.90 F2 (0.46) F2CNR2CNR1BRPF1BRD1
SCHEMBL8032464 0.89 F2 (0.53) F2BRPF1BRD1BRPF3LMNA
SCHEMBL8016206 0.89 F2 (0.46) F2CNR2CNR1
SCHEMBL8033092 0.89 F2 (0.51) F2CNR2CNR1NR1I2ALOX5AP
SCHEMBL8029954 0.85 F2 (0.45) F2CNR2AGTR2BRPF1BRD1
SCHEMBL6635412 0.85 F2 (0.46) F2BRPF1HDAC1LMNASMN1; SMN2
SCHEMBL8031467 0.84 F2 (0.44) F2CNR2CNR1BRPF1BRD1
SCHEMBL8032038 0.84 F2 (0.46) F2CNR2CNR1NR1I2ALOX5AP

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed