SCHEMBL11623222

SCHEMBL11623222

Cc1cn(C(C)(C)C(=O)NC(C)C)nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11622323 0.85 LMNA (0.39) ALDH1A1LRRK2LMNAKDM4EGAA
SCHEMBL11621422 0.84 CSNK1D (0.41) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL11622312 0.83 AURKA (0.44) ALDH1A1LMNAKDM4EGAAPOLB
SCHEMBL11623223 0.82 KMT2A (0.41) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL11619369 0.82 ALDH1A1 (0.41) ALDH1A1LRRK2LMNAGAAKMT2A
SCHEMBL11624689 0.80 ALDH1A1 (0.48) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL11620936 0.80 MEN1 (0.43) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL11620512 0.79 POLB (0.40) ALDH1A1LRRK2LMNAKDM4EGAA
SCHEMBL11622966 0.78 MEN1 (0.45) ALDH1A1KDM4EGAAKMT2APOLB
SCHEMBL11620869 0.77 SMN1; SMN2 (0.41) ALDH1A1LMNAKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US claimed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US disclosed
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