SCHEMBL21806086

SCHEMBL21806086

Cc1c(CC(=O)NCCCOCCOCCOCCCNC(=O)c2ccc3nonc3c2)c(=O)oc2cc(N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDYL Q9Y232 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ DRD3 P35462 3/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL21806242 0.87 CDYL (0.40) CDYLHDAC3HDAC1MEN1KMT2A
SCHEMBL24012424 0.87 CDYL (0.39) CDYLHDAC3HDAC1MEN1KMT2A
SCHEMBL21806226 0.84 CDYL (0.38) CDYLHDAC3HDAC1MEN1KMT2A
SCHEMBL21806175 0.84 NPC1 (0.38) CDYLHDAC3HDAC1MEN1KMT2A
SCHEMBL24012364 0.79 PSMB8 (0.35) CDYLMEN1KMT2ADRD3DRD2
SCHEMBL17346973 0.78 SRC (0.53) CDYLSRCKMT2ATP53MAPT
SCHEMBL24012442 0.74 HPGD (0.61) HDAC3HDAC1MEN1KMT2ATP53
SCHEMBL25231451 0.73 TP53 (0.44) CDYLSRCKMT2ATP53MAPT
SCHEMBL29355874 0.73 DUSP3 (0.56) SRCMEN1KMT2ATP53MAPT
SCHEMBL691948 0.73 DUSP3 (0.56) SRCMEN1KMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210349101-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. 2021-11-11 — — US disclosed
CN-113423698-A Coumarin-based crosslinking agents 文塔纳医疗系统公司 2021-09-21 — — CN disclosed
EP-3853214-A1 COUMARIN-BASED CROSSLINKING REAGENTS Ventana Medical Systems, Inc. (US) 2021-07-28 — — EP disclosed
WO-2020058339-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. (US) 2020-03-26 — — WO disclosed
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