SCHEMBL24329596

SCHEMBL24329596

Sc1ccc2nc3n(c2c1)CCCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 5/20 0.43
ACHE P22303 2/20 0.43
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
CFTR P13569 1/20 0.39
ALOX15 P16050 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
GOPC Q9HD26 1/20 0.39

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
SCHEMBL24329884 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HDAC6
SCHEMBL12476436 0.81 ALDH1A1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2HDAC6
SCHEMBL24330982 0.81 SMN1; SMN2 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2HDAC6
SCHEMBL840083 0.76 MEN1 (0.59) MEN1KMT2AALDH1A1HDAC6TP53
SCHEMBL30548180 0.76 TP53 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HDAC6
SCHEMBL3649695 0.76 TP53 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL3029049 0.75 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL14006090 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HDAC6
SCHEMBL21320757 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL4459931 0.75 MAPT (0.51) MEN1KMT2AALDH1A1SMN1; SMN2ACHE

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-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed