SCHEMBL29324231

SCHEMBL29324231

COCSc1ccccc1C(=O)NCCn1ccc(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 3/20 0.40
POLR1A O95602 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL29324237 0.89 ALDH1A1 (0.43) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL31103622 0.78 ALDH1A1 (0.40) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29324219 0.75 MAPT (0.41) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL29324066 0.71 PDE4A (0.47) HPGDSMN1; SMN2ALDH1A1USP2KMT2A
SCHEMBL31103624 0.71 PDE4A (0.47) HPGDSMN1; SMN2ALDH1A1USP2KMT2A
SCHEMBL31103663 0.70 PDE4A (0.44) HPGDSMN1; SMN2ALDH1A1USP2KMT2A
SCHEMBL29324061 0.70 PDE4A (0.44) HPGDSMN1; SMN2ALDH1A1USP2KMT2A
SCHEMBL7294536 0.66 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL15427137 0.63 SMN1; SMN2 (1.00) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10852270 0.63 PDE4A (0.64) HPGDSMN1; SMN2ALDH1A1USP2KMT2A

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-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed