SCHEMBL11840457

SCHEMBL11840457

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CD44 P16070 1/20 0.32

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
SCHEMBL11843523 0.88 MEN1 (0.32) MEN1LMNAMAPTKMT2A
SCHEMBL11845183 0.86 CD44 (0.34) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL11841300 0.86 — —
SCHEMBL11840331 0.83 MAPT (0.37) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL11837960 0.83 MAPT (0.37) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL11851354 0.82 — —
SCHEMBL11833902 0.82 SIGMAR1 (0.30) —
SCHEMBL11830830 0.81 ALDH1A1 (0.32) KDM4EALDH1A1LMNAMAPT
SCHEMBL11832098 0.79 — —
SCHEMBL11848319 0.78 GPR35 (0.33) —

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
Send feedback