SCHEMBL23399299

SCHEMBL23399299

Cc1ccc(-n2nc(O)c(C)c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
PRNP P04156 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESR1 P03372 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL23402575 0.84 KDM4C (0.53) ALDH1A1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL23398874 0.82 PDE4D (0.50) ALDH1A1RAB9ATP53LMNAHTT
SCHEMBL23399187 0.79 SMN1; SMN2 (0.44) ALDH1A1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23400332 0.79 MAPT (0.44) ALDH1A1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12680266 0.79 SMN1; SMN2 (0.49) ALDH1A1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23401766 0.78 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23403560 0.78 CDK8 (0.44) ALDH1A1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23399792 0.78 CDK8 (0.41) ALDH1A1RAB9ASMN1; SMN2TP53HTT
SCHEMBL23400167 0.78 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23399637 0.78 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2TP53LMNA

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed