SCHEMBL24124782

SCHEMBL24124782

O=C(Nc1ccc(SN2CCCCC2)cc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ CPT2 P23786 1/20 0.47
▸ CPT1A P50416 1/20 0.47
▸ CPT1B Q92523 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
SCHEMBL24125006 0.88 ALDH1A1 (0.59) MAPTSMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL24124258 0.85 MAPT (0.43) MAPTSMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL24124885 0.84 ALDH1A1 (0.52) MAPTSMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL24124195 0.84 MAPT (0.44) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL25922279 0.84 CTDSP1 (0.58) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL24124676 0.83 MAPT (0.55) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL24124910 0.81 KDM4E (0.44) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL24125225 0.80 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1NPSR1TP53
SCHEMBL31411638 0.77 MAPT (0.58) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL21972974 0.76 MAPT (0.78) MAPTLMNASMN1; SMN2POLBALDH1A1

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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