SCHEMBL20184766

SCHEMBL20184766

Cc1cc2nc(/C=C/c3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ ATM Q13315 2/20 1.00
▸ CACNA1B Q00975 1/20 1.00
▸ APBA1 Q02410 1/20 1.00
▸ MCL1 Q07820 1/20 1.00
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ FABP6 P51161 1/20 0.57
▸ PSMD14 O00487 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ADAMTS5 Q9UNA0 2/20 0.51
▸ TP53 P04637 1/20 0.45
▸ METAP1 P53582 2/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ CBFB Q13951 1/20 0.44
▸ AMY1A P0DUB6 2/20 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
SCHEMBL20184767 1.00 MAPT (1.00) MAPTMEN1KMT2AKDM4EATM
SCHEMBL6836889 0.87 KDM4E (0.75) MAPTMEN1KMT2AKDM4EATM
SCHEMBL6836616 0.87 KDM4E (0.75) MAPTMEN1KMT2AKDM4EATM
SCHEMBL13508624 0.85 MAPT (0.73) MAPTMEN1KMT2AKDM4EATM
SCHEMBL22656695 0.84 ATM (0.72) MAPTMEN1KMT2AKDM4EATM
SCHEMBL22075580 0.84 ATM (0.72) MAPTMEN1KMT2AKDM4EATM
SCHEMBL29017313 0.81 ATM (0.68) MAPTMEN1KMT2AKDM4EATM
SCHEMBL2458503 0.81 RAB9A (1.00) MAPTMEN1KMT2AKDM4EATM
SCHEMBL2458502 0.81 RAB9A (1.00) MAPTMEN1KMT2AKDM4EATM
SCHEMBL29770338 0.76 MAPT (0.59) MAPTMEN1KMT2AKDM4EATM

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
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 — — EP disclosed
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