SCHEMBL27310736

SCHEMBL27310736

O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ NPC1 O15118 4/20 0.58
▸ ELOVL1 Q9BW60 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ HTT P42858 3/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPT P10636 3/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ GSTO1 P78417 1/20 0.53
▸ PARP1 P09874 2/20 0.53
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL2557090 0.90 KDM4E (0.63) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL27371515 0.90 LMNA (0.64) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL2560003 0.83 RAB9A (0.54) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL14758306 0.83 KDM4E (0.70) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL17107238 0.83 RAB9A (0.70) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL2554108 0.83 KDM4E (0.63) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL2562374 0.83 RAB9A (0.59) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL18115530 0.82 LMNA (0.71) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL2753301 0.82 LMNA (0.71) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9892895 0.81 LMNA (0.63) LMNASMN1; SMN2RAB9AALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 — — WO disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 — — WO disclosed
WO-2024006956-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 — — WO disclosed
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