SCHEMBL11840331

SCHEMBL11840331

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CD44 P16070 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ GAA P10253 3/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ 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
SCHEMBL11830830 0.92 ALDH1A1 (0.32) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL11837960 0.90 MAPT (0.37) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL11845183 0.90 CD44 (0.34) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL11833902 0.86 SIGMAR1 (0.30) —
SCHEMBL11840457 0.83 KDM4E (0.32) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL11843523 0.83 MEN1 (0.32) MAPTKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11845062 0.80 GPR35 (0.34) ALOX15
SCHEMBL11851354 0.80 — —
SCHEMBL11839653 0.79 GAA (0.54) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL11837120 0.79 ALDH1A1 (0.35) MAPTALDH1A1GAAALOX15

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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