SCHEMBL7404382

SCHEMBL7404382

N=C(N)c1ccc2[nH]c(C(Cc3ccc(Br)cc3)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.48
F10 P00742 6/20 0.48
F7 P08709 2/20 0.48
F9 P00740 2/20 0.42
PRSS1 P07477 4/20 0.42
PLAU P00749 3/20 0.42
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLG P00747 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PLAT P00750 1/20 0.40
CYP1A2 P05177 1/20 0.40
TPSAB1 Q15661 2/20 0.39

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
SCHEMBL7406501 0.92 F2 (0.53) F2F10F7F9PRSS1
SCHEMBL7410068 0.90 F2 (0.49) F2F10F7F9PRSS1
SCHEMBL7403653 0.90 F2 (0.49) F2F10F7F9PRSS1
SCHEMBL7406090 0.82 F10 (0.47) F2F10F7F9PRSS1
SCHEMBL7595573 0.82 F2 (0.58) F2F10F7PRSS1PLAU
SCHEMBL7405163 0.81 F2 (0.53) F2F10F7PRSS1PLAU
SCHEMBL7405081 0.81 F10 (0.44) F2F10F7F9PRSS1
SCHEMBL7405066 0.81 F2 (0.48) F2F10F7F9PRSS1
SCHEMBL7450165 0.80 HRH4 (0.50) F2F10F7F9ALDH1A1
SCHEMBL7408467 0.80 F10 (0.50) F2F10F7PRSS1PLAU

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed