SCHEMBL29099264

SCHEMBL29099264

CC(C(C)(C)C)C(C(=O)O)(C(=O)O)c1ccc(Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
PANK3 Q9H999 1/20 0.32
MAPT P10636 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5954700 0.76 LMNA (0.42) LMNAKMT2AMAPTNAPRTTRPV1
SCHEMBL1550807 0.75 LMNA (0.41) LMNAKMT2AMAPTNAPRTTRPV1
SCHEMBL1000276 0.72 ALDH1A1 (0.40) LMNAKMT2AMAPTTRPV1HTT
SCHEMBL18106959 0.71 LMNA (0.37) LMNAKMT2A
Lithium Ion SCHEMBL1550804 0.68 LMNA (0.41) LMNAKMT2AMAPTTRPV1HTT
SCHEMBL15375598 0.68 ALDH1A1 (0.40) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL30549680 0.67 ALDH1A1 (0.38) LMNAKMT2AMAPTTRPV1HTT
Hydrochloric Acid SCHEMBL31404963 0.66 ALDH1A1 (0.39) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL31292247 0.66 LMNA (0.43) LMNAKMT2AMAPTTRPV1SMN1; SMN2
SCHEMBL19185845 0.64 LMNA (0.36) LMNAKMT2AMAPTHTTALDH1A1

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
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed