SCHEMBL13650898

SCHEMBL13650898

N=c1sc2c(n1CC(=O)c1ccc(Cl)c(Cl)c1)CCCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ CYP1A1 P04798 2/20 0.69
▸ CYP1B1 Q16678 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ TP53 P04637 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69
▸ ATM Q13315 4/20 0.48
▸ GAA P10253 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CXCR3 P49682 1/20 0.47

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
Bromide SCHEMBL29440247 0.99 CYP1A1 (0.69) MEN1KMT2AALDH1A1MAPK1CYP1A1
Bromide SCHEMBL22749628 0.99 CYP1A1 (0.69) MEN1KMT2AALDH1A1MAPK1CYP1A1
Bromide SCHEMBL22749627 0.98 MEN1 (0.66) MEN1KMT2AALDH1A1MAPK1CYP1A1
SCHEMBL22761628 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1MAPK1CYP1A1
Bromide SCHEMBL22749448 0.84 CYP1A1 (0.65) MEN1KMT2AALDH1A1MAPK1CYP1A1
Bromide SCHEMBL29440246 0.84 CYP1A1 (0.65) MEN1KMT2AALDH1A1MAPK1CYP1A1
SCHEMBL13650867 0.83 KMT2A (0.69) MEN1KMT2AALDH1A1MAPK1CYP1A1
Bromide SCHEMBL22749447 0.83 MEN1 (0.61) MEN1KMT2AALDH1A1MAPK1CYP1A1
SCHEMBL13650924 0.81 MAPT (0.77) MEN1KMT2AALDH1A1MAPK1CYP1A1
SCHEMBL158627 0.81 KMT2A (1.00) MEN1KMT2AALDH1A1MAPK1CYP1A1

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-2020247336-A1 PIFITHRIN ANALOGUES AND METHODS OF TREATING RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 — — WO disclosed
US-7601846-B2 Compounds having activity as inhibitors of apoptosis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-13 — — US disclosed
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