SCHEMBL2451533

SCHEMBL2451533

O=C(O)c1ccc(C2(C3(c4ccc(C(=O)O)cc4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=CC(c3ccc(-c4ccccc4)cc3)=N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K4 O95819 1/20 0.36
SRD5A2 P31213 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL1400252 0.85 NPC1 (0.46) EGFRNPC1RAB9AMKNK1MKNK2
SCHEMBL491053 0.68 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ATMALDH1A1
Biphenyl SCHEMBL27749501 0.68 EGFR (0.72) EGFRNPC1RAB9AMKNK1MKNK2
Benzene SCHEMBL28431643 0.68 EGFR (0.72) EGFRNPC1RAB9AMKNK1MKNK2
SCHEMBL7155730 0.68 EGFR (0.72) EGFRNPC1RAB9AMKNK1MKNK2
SCHEMBL38562 0.68 EGFR (0.72) EGFRNPC1RAB9AMKNK1MKNK2
Biphenyl SCHEMBL5186249 0.68 EGFR (0.72) EGFRNPC1RAB9AMKNK1MKNK2
Terephthalic Acid SCHEMBL10780545 0.68 EGFR (0.72) EGFRNPC1RAB9AMKNK1MKNK2
SCHEMBL1584121 0.66 EGFR (0.69) EGFRNPC1RAB9AMKNK1MKNK2
Biphenyl SCHEMBL9650627 0.66 EGFR (0.69) EGFRNPC1RAB9AMKNK1MKNK2

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-20110223540-A1 GUMMING COMPOSITIONS WITH NANO-PARTICLES FOR IMPROVING SCRATCH SENSITIVITY IN IMAGE AND NON-IMAGE AREAS OF LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY 2011-09-15 US disclosed