SCHEMBL21731424

SCHEMBL21731424

C#CC/N=c1\cccc(Cc2cnc(Cl)s2)n1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL21731433 0.78 KMT2A (0.33) ALDH1A1ALOX12L3MBTL1LMNAKMT2A
SCHEMBL21709958 0.78 ALDH1A1 (0.39) ALDH1A1ALOX12L3MBTL1LMNAKMT2A
SCHEMBL21682612 0.78 ALDH1A1 (0.39) ALDH1A1ALOX12L3MBTL1LMNAKMT2A
SCHEMBL21682614 0.78 ALDH1A1 (0.39) ALDH1A1ALOX12L3MBTL1LMNAKMT2A
SCHEMBL8447855 0.61 — —
SCHEMBL16846315 0.60 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAKMT2ARECQL
SCHEMBL21731427 0.59 APP (0.34) ALDH1A1ALOX12L3MBTL1LMNAKMT2A
Hydrochloric Acid SCHEMBL16830727 0.59 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2ARECQL
Hydrochloric Acid SCHEMBL16830724 0.59 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2ARECQL
SCHEMBL17410524 0.59 LMNA (0.61) ALDH1A1L3MBTL1LMNAKMT2ARECQL

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
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 — — WO disclosed
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