SCHEMBL21799987

SCHEMBL21799987

NCc1ccccc1CNCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.47
IDO1 P14902 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MPO P05164 1/20 0.46
MAPT P10636 2/20 0.45
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.45
BCHE P06276 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL31078248 0.92 MEN1 (0.65) PKMMEN1KMT2ATDP1MAOA
SCHEMBL11881191 0.89 PKM (0.69) PKMMEN1KMT2ATDP1MAOA
Benzylamine SCHEMBL6049945 0.82 LOXL2 (0.70) PKMMEN1KMT2ATDP1MAOA
SCHEMBL7244890 0.80 LOXL2 (0.67) PKMMEN1KMT2ATDP1MAOA
SCHEMBL6280288 0.79 PKM (0.58) PKMMEN1KMT2ATDP1MAOA
Benzene SCHEMBL11697595 0.79 MEN1 (0.78) PKMMEN1KMT2ATDP1MAOA
SCHEMBL1654 0.79 MEN1 (0.78) PKMMEN1KMT2ATDP1MAOA
SCHEMBL5799878 0.79 MEN1 (0.78) PKMMEN1KMT2ATDP1MAOA
Ethylamine SCHEMBL1685440 0.78 MEN1 (0.61) PKMMEN1KMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL7867923 0.78 PKM (0.61) PKMMEN1KMT2ATDP1MAOA

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