SCHEMBL24124787

SCHEMBL24124787

O=C1CSc2ccc(C(=O)Nc3ccc(SN4CCCCC4)cc3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 8/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ HTT P42858 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ POLB P06746 2/20 0.47
▸ NOD2 Q9HC29 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL24125184 0.82 HDAC1 (0.56) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL25927886 0.81 MAPT (0.58) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL24124217 0.80 HDAC1 (0.57) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL24124654 0.80 ALDH1A1 (0.57) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL24125233 0.80 HTT (0.60) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL24124676 0.79 MAPT (0.55) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL24125017 0.79 MAPT (0.55) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL24124910 0.78 KDM4E (0.44) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL24125006 0.77 ALDH1A1 (0.59) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL24124258 0.76 MAPT (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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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