SCHEMBL10890871

SCHEMBL10890871

COc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.72
PRSS2 P07478 2/20 0.72
PRSS3 P35030 2/20 0.72
ACR P10323 3/20 0.65
LMNA P02545 2/20 0.60
PTGIR P43119 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
GFER P55789 1/20 0.56
PARP10 Q53GL7 3/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
PARP1 P09874 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
PARP4 Q9UKK3 1/20 0.56
NQO2 P16083 2/20 0.56

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
SCHEMBL12608584 0.87 LMNA (0.75) PRSS1ACRLMNACYP1A2CYP2C9
SCHEMBL12633724 0.87 LMNA (0.75) PRSS1ACRLMNACYP1A2CYP2C9
SCHEMBL7591660 0.87 LMNA (0.75) PRSS1ACRLMNACYP1A2CYP2C9
SCHEMBL9666088 0.87 LMNA (0.75) PRSS1ACRLMNACYP1A2CYP2C9
SCHEMBL10891811 0.86 PRSS1 (0.65) PRSS1PRSS2PRSS3ACRLMNA
SCHEMBL428892 0.85 PRSS1 (1.00) PRSS1PRSS2PRSS3PTGIRPARP10
SCHEMBL9342118 0.84 PRSS1 (0.64) PRSS1PRSS2PRSS3LMNAKMT2A
SCHEMBL7744358 0.84 PARP10 (0.74) PRSS1PRSS2PRSS3ACRKMT2A
Hydrochloric Acid SCHEMBL2570665 0.83 PRSS1 (0.95) PRSS1PRSS2PRSS3PTGIRPARP10
Hydrochloric Acid SCHEMBL3402436 0.83 PARP10 (0.72) PRSS1PRSS2PRSS3ACRKMT2A

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-4604285-A ANTICOAGULANT BEECHAM GROUP P.L.C. (GB) 1986-08-05 US disclosed