SCHEMBL21799674

SCHEMBL21799674

NCc1cccc(CNCC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.49
HDAC6 Q9UBN7 2/20 0.48
NPC1 O15118 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MAP4K4 O95819 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7248082 0.87 HDAC6 (0.60) CXCR4HDAC6NPC1HDAC3HDAC4
SCHEMBL23023007 0.85 CXCR4 (0.54) CXCR4NPC1RAB9AHRH3SIGMAR1
SCHEMBL16264581 0.81 CXCR4 (0.68) CXCR4HDAC6NPC1SIGMAR1
SCHEMBL3125633 0.81 NPC1 (0.57) CXCR4HDAC6NPC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL29778273 0.80 CXCR4 (0.67) CXCR4HDAC6NPC1SIGMAR1
SCHEMBL10764797 0.80 CXCR4 (0.63) CXCR4HDAC6NPC1HDAC3HDAC4
SCHEMBL7603669 0.80 CXCR4 (0.63) CXCR4HDAC6NPC1HDAC3HDAC4
Decarboxylated Derivative SCHEMBL25372998 0.79 SIGMAR1 (0.57) CXCR4HDAC6NPC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL31169762 0.78 CXCR4 (0.61) CXCR4HDAC6NPC1HDAC3HDAC4
SCHEMBL13379511 0.78 DDB1 (0.43) NPC1PRMT6

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
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed