SCHEMBL5071309

SCHEMBL5071309

NC(O)(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
SLC6A2 P23975 1/20 0.56
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
LMNA P02545 2/20 0.55
MPO P05164 2/20 0.55
PMP22 Q01453 2/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
HIF1A Q16665 1/20 0.55
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10413999 1.00 MAPT (0.59) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL31036376 1.00 MAPT (0.59) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL28100265 0.86 MAPT (0.56) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8653778 0.85 MAPT (0.55) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL343309 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8653749 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL200589 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL30135703 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL162554 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29434606 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
EP-1915997-A1 AGENT FOR HAIR GROWTH KOHNO, Kenji (JP) 2008-04-30 EP disclosed
US-4955857-A Amino acid biodegradation SHETTIGAR UDIPI R (US) 1990-09-11 US disclosed