SCHEMBL21799723

SCHEMBL21799723

CC(C)C(C)Nc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
TDP1 Q9NUW8 5/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 3/20 0.39
THRB P10828 2/20 0.39
TSHR P16473 2/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
NR4A1 P22736 1/20 0.39

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
SCHEMBL28349412 0.90 TDP1 (0.42) MAPTALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL1679914 0.81 MAPT (0.43) MAPTALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL475453 0.80 TDP1 (0.56) MAPTALDH1A1L3MBTL1TDP1CYP3A4
Ethane SCHEMBL16684670 0.79 MAPT (0.41) MAPTALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL21799725 0.79 L3MBTL1 (0.48) MAPTALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL23485010 0.78 CA1 (0.47) MAPTALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL20670400 0.78 CA1 (0.47) MAPTALDH1A1L3MBTL1TDP1CYP3A4
Hydrogen Sulfide SCHEMBL8431365 0.78 TDP1 (0.54) MAPTALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL8431367 0.78 TDP1 (0.54) MAPTALDH1A1L3MBTL1TDP1CYP3A4
Hydrochloric Acid SCHEMBL10534023 0.78 TDP1 (0.54) MAPTALDH1A1L3MBTL1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
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
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN disclosed