SCHEMBL24124910

SCHEMBL24124910

CC(C)N1C(=O)CSc2ccc(C(=O)Nc3ccc(SN4CCCCC4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ TNF P01375 1/20 0.39

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
SCHEMBL24124676 0.89 MAPT (0.55) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL24125006 0.86 ALDH1A1 (0.59) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL24124258 0.83 MAPT (0.43) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL24124885 0.83 ALDH1A1 (0.52) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL25922344 0.82 CYP1A2 (0.56) KDM4ERAB9AMAPK1MAPTALDH1A1
SCHEMBL24124195 0.82 MAPT (0.44) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL24124962 0.82 MAPT (0.47) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL24125225 0.82 ALDH1A1 (0.51) KDM4ENPC1RAB9ANPSR1MAPK1
SCHEMBL24124782 0.81 MAPT (0.55) NPC1NPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL24124787 0.78 NPC1 (0.51) KDM4ENPC1RAB9ANPSR1MAPK1

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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