SCHEMBL11264175

SCHEMBL11264175

N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)OCC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
F2 P00734 2/20 0.49
KLK1 P06870 2/20 0.49
PRSS1 P07477 2/20 0.49
SLC22A2 O15244 1/20 0.49
TMPRSS2 O15393 1/20 0.49
HPN P05981 1/20 0.49
PRSS2 P07478 1/20 0.49
CTSL P07711 1/20 0.49
CNR1 P21554 1/20 0.49
PRSS3 P35030 1/20 0.49
ADRA1A P35348 1/20 0.49

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
SCHEMBL11274624 0.90 KMT2A (0.55) KLK7SMN1; SMN2NPC1POLBRAB9A
SCHEMBL11277772 0.89 MEN1 (0.55) SMN1; SMN2MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL11418845 0.86 KMT2A (0.55) KLK7SMN1; SMN2NPC1POLBRAB9A
SCHEMBL11277920 0.85 KLK7 (0.47) KLK7SMN1; SMN2NPC1POLBRAB9A
SCHEMBL11280076 0.85 SMN1; SMN2 (0.48) KLK7SMN1; SMN2NPC1POLBRAB9A
SCHEMBL16383778 0.84 KLK7 (0.46) KLK7SMN1; SMN2NPC1POLBRAB9A
Camostat SCHEMBL8829828 0.84 PRSS1 (0.66) KLK7SMN1; SMN2NPC1POLBRAB9A
SCHEMBL16355694 0.83 PRSS1 (0.49) KLK7SMN1; SMN2NPC1POLBRAB9A
Camostat SCHEMBL125269 0.83 PRSS1 (0.68) KLK7SMN1; SMN2NPC1POLBRAB9A
SCHEMBL20008640 0.83 PRSS1 (0.68) KLK7SMN1; SMN2NPC1POLBRAB9A

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-4310533-A INHIBITING PLASMIN AND-OR TRYSIN ACTIVITY ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-12 US disclosed