SCHEMBL10891573

SCHEMBL10891573

CCCCN=CN(C)c1ccc(Cl)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KCNA3 P22001 5/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ SCN2A Q99250 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
SCHEMBL11579537 0.91 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2KCNA3KMT2AGAA
SCHEMBL10890595 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAALMNAKDM4E
SCHEMBL10897182 0.78 EPHX2 (0.32) EPHX2KDM4E
SCHEMBL10900732 0.78 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KMT2AGAAHTT
SCHEMBL9428756 0.77 KMT2A (0.38) ALDH1A1SMN1; SMN2KMT2AGAAMEN1
SCHEMBL10982165 0.77 KMT2A (0.38) ALDH1A1SMN1; SMN2KMT2AGAAMEN1
Hydrochloric Acid SCHEMBL10895892 0.75 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AGAAMEN1
SCHEMBL10891575 0.72 PSEN1 (0.35) ALDH1A1CYP1A2CYP2D6L3MBTL1PSEN1
SCHEMBL10889389 0.71 ESR1 (0.37) ALDH1A1SMN1; SMN2KMT2AGAAMEN1
SCHEMBL11852653 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2AGAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4103007-A Pesticidal synergistic mixture of a dioxathiepin and a formamidine SCHERING AKTIENGESELLSCHAFT (DE) 1978-07-25 — — US claimed
US-4612395-A Process for the production of N-(2-methyl-4-chlorophenyl)-formamidine derivatives CIBA-GEIGY CORPORATION (US) 1986-09-16 — — US disclosed
US-4103007-A Pesticidal synergistic mixture of a dioxathiepin and a formamidine SCHERING AKTIENGESELLSCHAFT (DE) 1978-07-25 — — US disclosed
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