SCHEMBL23539554

SCHEMBL23539554

CSc1cccc(-c2sc(N)nc2-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
WDR5 P61964 1/20 0.56
MAPT P10636 6/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPK1 P28482 3/20 0.55
PKM P14618 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
ADORA1 P30542 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ALOX5 P09917 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45

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
SCHEMBL20703534 0.82 MAPT (0.65) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL3793669 0.80 PKM (0.58) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL1641146 0.80 MYC (0.52) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL49097 0.78 AURKA (0.57) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL11326282 0.78 MYC (0.65) MYCWDR5MAPTALDH1A1MEN1
Bromide SCHEMBL7143173 0.77 MYC (0.61) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL23539555 0.76 MYC (0.53) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL1641715 0.73 MYC (0.52) MYCWDR5MAPTALDH1A1MEN1
SCHEMBL1145909 0.72 HSP90AA1 (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30818066 0.71 MAPT (1.00) MYCWDR5MAPTALDH1A1MEN1

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-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed