SCHEMBL25545282

SCHEMBL25545282

BNC(=O)CSc1nccn1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 2/20 0.61
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.56

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
SCHEMBL24945137 0.88 MAPK1 (0.77) TP53LMNASMN1; SMN2GAATSHR
SCHEMBL25547776 0.82 ALDH1A1 (0.64) TP53LMNASMN1; SMN2GAATSHR
SCHEMBL9168747 0.82 CYP1A2 (0.68) TP53LMNASMN1; SMN2GAATSHR
SCHEMBL24943939 0.80 TP53 (0.81) TP53LMNATSHRALDH1A1CYP1A2
SCHEMBL24943938 0.79 TP53 (1.00) TP53LMNATSHRALDH1A1CYP1A2
SCHEMBL24943942 0.78 SMN1; SMN2 (1.00) TP53LMNASMN1; SMN2GAATSHR
SCHEMBL24943937 0.75 ALDH1A1 (1.00) TP53LMNASMN1; SMN2GAATSHR
SCHEMBL24943935 0.75 ALDH1A1 (1.00) TP53LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL24943936 0.75 ALDH1A1 (1.00) LMNASMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL24045353 0.75 MAPT (0.81) TP53LMNAALDH1A1POLBNPSR1

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-2023081967-A1 COMPOUNDS AND USES THEREFOR THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-05-19 WO disclosed