SCHEMBL24945137

SCHEMBL24945137

O=C(CSc1nccn1-c1ccccc1)NO

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.77
TP53 P04637 2/20 0.67
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
GAA P10253 1/20 0.65
ALDH1A1 P00352 5/20 0.65
TSHR P16473 2/20 0.63
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
NPSR1 Q6W5P4 1/20 0.59
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.57

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
SCHEMBL25545282 0.88 TP53 (0.65) MAPK1TP53LMNASMN1; SMN2GAA
SCHEMBL25547776 0.83 ALDH1A1 (0.64) MAPK1TP53LMNASMN1; SMN2GAA
SCHEMBL9168747 0.83 CYP1A2 (0.68) MAPK1TP53LMNASMN1; SMN2GAA
SCHEMBL24943939 0.81 TP53 (0.81) TP53LMNAALDH1A1TSHRCYP1A2
SCHEMBL24943938 0.80 TP53 (1.00) TP53LMNAALDH1A1TSHRCYP1A2
SCHEMBL24943942 0.80 SMN1; SMN2 (1.00) TP53LMNASMN1; SMN2GAAALDH1A1
SCHEMBL24943937 0.79 ALDH1A1 (1.00) MAPK1TP53LMNASMN1; SMN2GAA
SCHEMBL24943935 0.76 ALDH1A1 (1.00) TP53LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL24943936 0.76 ALDH1A1 (1.00) MAPK1LMNASMN1; SMN2GAAALDH1A1
SCHEMBL24045353 0.76 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-2023009347-A1 COMPOUNDS FOR MODULATING EPITHELIAL 15-(S)-LIPOXYGENASE-2 AND METHODS OF USE FOR SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-02 WO disclosed