SCHEMBL7478399

SCHEMBL7478399

N=C(N)c1ccc2[nH]c(CCc3nc4ccccc4n3Cc3ccccc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
F7 P08709 1/20 0.47
AGTR1 P30556 3/20 0.47
AGTR2 P50052 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7476301 0.84 KLK1 (0.53) F2F10F7ALDH1A1NPC1
SCHEMBL7477008 0.80 F2 (0.53) F2F10F7ALDH1A1NPC1
SCHEMBL7480797 0.80 F10 (0.47) F2F10F7
SCHEMBL7479169 0.79 F10 (0.71) F2F10F7POLBNPC1
SCHEMBL7405159 0.78 F10 (0.55) F2F10F7
SCHEMBL548419 0.78 F10 (0.63) F2F10F7
SCHEMBL7409133 0.77 F10 (0.56) F2F10F7
SCHEMBL7402998 0.76 F10 (0.58) F2F10F7
SCHEMBL7408793 0.76 F10 (0.48) F2F10F7
SCHEMBL7397939 0.76 F10 (0.52) F2F10F7MEN1KMT2A

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