SCHEMBL11845183

SCHEMBL11845183

Cc1cc(Cl)c(NC(=N)NC(=N)N)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL11837960 0.93 MAPT (0.37) CD44MAPTMEN1ALDH1A1KMT2A
SCHEMBL11840331 0.90 MAPT (0.37) CD44MAPTMEN1ALDH1A1KMT2A
SCHEMBL11830830 0.88 ALDH1A1 (0.32) MAPTALDH1A1KDM4ELMNA
SCHEMBL27535979 0.86 ALDH1A1 (0.36) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL11851354 0.86 — —
SCHEMBL11840457 0.86 KDM4E (0.32) CD44MAPTMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11428330 0.83 POLB (0.40) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL11843523 0.80 MEN1 (0.32) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL11833902 0.80 SIGMAR1 (0.30) —
SCHEMBL11834966 0.79 PDK1 (0.44) MAPTMEN1ALDH1A1KMT2AKDM4E

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-3959488-A 1-Substituted biguanides for treating hyperacidity or ulceration WILLIAM H. RORER, INC. (US) 1976-05-25 — — US disclosed
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