SCHEMBL5579342

SCHEMBL5579342

Cc1ccc(Sc2cccc3ncncc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHFR P00374 1/20 0.47
ICAM1 P05362 10/20 0.42
SELE P16581 10/20 0.42
VCAM1 P19320 7/20 0.42
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
EGFR P00533 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TYMS P04818 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL30423251 0.83 ADORA2A (0.40) NPC1RAB9ASMN1; SMN2DHFREGFR
Hydrochloric Acid SCHEMBL28038564 0.81 TYMS (0.41) DHFREGFRMEN1KMT2ATYMS
SCHEMBL28214521 0.74 EGFR (0.39) NPC1RAB9AMAPTPOLBMAPK1
SCHEMBL3820499 0.72 EGFR (0.47) MAPTMAPK1EGFRMEN1KMT2A
SCHEMBL1346434 0.72 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2DHFRICAM1
SCHEMBL14340743 0.72 LMNA (0.48) NPC1RAB9ASMN1; SMN2DHFRICAM1
SCHEMBL6213388 0.71 MAPT (0.61) NPC1RAB9ASMN1; SMN2ICAM1SELE
SCHEMBL9923541 0.69 IFNAR1 (0.47) NPC1RAB9ASMN1; SMN2DHFRICAM1
SCHEMBL30548756 0.69 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2DHFRICAM1
SCHEMBL11121836 0.69 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2DHFRICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 WO claimed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed