SCHEMBL24125225

SCHEMBL24125225

CCCCNN1C(=O)CSc2ccc(C(=O)Nc3ccc(SN4CCCCC4)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ROCK2 O75116 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL24124885 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1NPSR1USP2TSHR
SCHEMBL24125006 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1NPSR1USP2TSHR
SCHEMBL25927899 0.84 CTDSP1 (0.55) ALDH1A1L3MBTL1USP2TSHRMAPT
SCHEMBL24124676 0.83 MAPT (0.55) ALDH1A1L3MBTL1NPSR1USP2MAPT
SCHEMBL24124910 0.82 KDM4E (0.44) ALDH1A1L3MBTL1NPSR1USP2TSHR
SCHEMBL24124782 0.80 MAPT (0.55) ALDH1A1NPSR1MAPTNPC1SMN1; SMN2
SCHEMBL24124258 0.78 MAPT (0.43) ALDH1A1L3MBTL1NPSR1USP2TSHR
SCHEMBL24124195 0.77 MAPT (0.44) ALDH1A1L3MBTL1NPSR1TSHRMAPT
SCHEMBL24125231 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1NPSR1USP2TSHR
SCHEMBL25926503 0.74 RAB9A (0.54) ALDH1A1NPSR1MAPTKMT2AKDM4E

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-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 — — WO disclosed
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