SCHEMBL7477008

SCHEMBL7477008

N=C(N)c1ccc2nc(CCc3nc4ccccc4[nH]3)n(CCCc3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.53
F10 P00742 4/20 0.53
F7 P08709 3/20 0.53
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TPSAB1 Q15661 3/20 0.44
PRSS1 P07477 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KLK1 P06870 1/20 0.44
KLK5 Q9Y337 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
HDAC1 Q13547 1/20 0.40

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
SCHEMBL7408187 0.93 F10 (0.58) F2F10F7TPSAB1PRSS1
SCHEMBL7478941 0.84 NPC1 (0.60) RAB9ANPC1MAPTALDH1A1
SCHEMBL7404762 0.82 F2 (0.52) F2F10F7TPSAB1PRSS1
SCHEMBL7478399 0.80 F2 (0.47) F2F10F7RAB9ANPC1
SCHEMBL7407177 0.80 F10 (0.64) F2F10F7TPSAB1PRSS1
SCHEMBL7476301 0.75 KLK1 (0.53) F2F10F7RAB9ANPC1
SCHEMBL7407441 0.75 F10 (0.57) F2F10F7TPSAB1PRSS1
SCHEMBL7479169 0.75 F10 (0.71) F2F10F7RAB9ANPC1
SCHEMBL7405290 0.74 F10 (0.52) F2F10F7TPSAB1PRSS1
SCHEMBL7477294 0.72 APEX1 (0.44) F2F10F7TPSAB1PRSS1

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-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed