SCHEMBL21799448

SCHEMBL21799448

NCc1cccc(CNC2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CXCR4 P61073 2/20 0.59
POLB P06746 2/20 0.58
HRH3 Q9Y5N1 1/20 0.54
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
PARP1 P09874 1/20 0.49
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAP4K4 O95819 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
PABPC1 P11940 1/20 0.45

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
SCHEMBL9252404 0.91 ALDH1A1 (0.68) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL11509945 0.91 ALDH1A1 (0.68) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL21799935 0.86 HRH3 (0.72) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL17733658 0.84 CXCR4 (0.86) ALDH1A1CXCR4POLB
SCHEMBL4082176 0.82 ALDH1A1 (0.45) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL8808282 0.82 ALDH1A1 (0.57) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL14411942 0.81 ALDH1A1 (0.60) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL14492284 0.80 ACHE (0.63) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL1041164 0.80 KCNH2 (0.60) ALDH1A1CXCR4POLBHRH3KDM4E
SCHEMBL5680610 0.80 ALDH1A1 (0.59) ALDH1A1CXCR4POLBHRH3KDM4E

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