SCHEMBL31156512

SCHEMBL31156512

Nc1nc(-c2ccccc2)nc2sc(C(=O)O)c(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 7/20 0.54
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
IKBKB O14920 1/20 0.48
ADORA2A P29274 4/20 0.48

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
SCHEMBL31156487 0.82 KDM4E (0.67) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27491238 0.82 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27490182 0.81 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4427626 0.81 BRAF (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27551749 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27557179 0.79 MAPT (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31156462 0.79 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31156513 0.79 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6218448 0.77 LHCGR (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27490906 0.77 MAPT (0.50) MAPTALDH1A1MEN1KMT2AKDM4E

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-119013280-A Compound for regulating 15-PGDH activity and preparation method thereof 赛诺哈勃药业(成都)有限公司 2024-11-22 CN disclosed