SCHEMBL6785481

SCHEMBL6785481

COC(=O)c1ccccc1Cc1c(-c2ccc(C(=N)N)cc2)[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
PARP1 P09874 1/20 0.42
F2 P00734 8/20 0.42
F10 P00742 7/20 0.42
PRSS1 P07477 4/20 0.38
PLG P00747 3/20 0.38
PLAU P00749 3/20 0.38
CNR1 P21554 1/20 0.38
KLK6 Q92876 2/20 0.37
KLK8 O60259 1/20 0.37
KLK14 Q9P0G3 1/20 0.37
KLK5 Q9Y337 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
JAK2 O60674 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
NQO2 P16083 1/20 0.37
NR4A2 P43354 1/20 0.36

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
Hydrochloric Acid SCHEMBL6785474 0.99 KIF11 (0.43) KIF11PARP1F2F10PRSS1
SCHEMBL6788106 0.88 NR4A2 (0.41) KIF11PARP1F2F10NR4A2
Hydrochloric Acid SCHEMBL6788097 0.87 NR4A2 (0.40) KIF11PARP1F2F10NR4A2
SCHEMBL6786964 0.85 KIF11 (0.45) KIF11PARP1F2F10PRSS1
Hydrochloric Acid SCHEMBL6786963 0.84 KIF11 (0.44) KIF11PARP1F2F10PRSS1
SCHEMBL6788527 0.82 KIF11 (0.46) KIF11PARP1F2F10PRSS1
Hydrochloric Acid SCHEMBL6788523 0.82 KIF11 (0.46) KIF11PARP1F2F10PRSS1
SCHEMBL6793456 0.80 HTT (0.45) F2F10PRSS1
Hydrochloric Acid SCHEMBL6793449 0.79 HTT (0.44) F2F10PRSS1
SCHEMBL6791284 0.76 F2 (0.39) KIF11F2F10PRSS1PLG

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-6699862-B1 ANTITUMOR PFIZER INC. 2004-03-02 US claimed