SCHEMBL21799683

SCHEMBL21799683

CC(C)(C)CNCc1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LOXL2 Q9Y4K0 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ABAT P80404 1/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL21799902 0.85 PNMT (0.41) LOXL2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL7684046 0.84 TPSAB1 (0.44) TPSAB1ANPEPERAP2HRH3LOXL2
SCHEMBL21800101 0.82 ANPEP (0.39) TPSAB1ANPEPERAP2HRH3LOXL2
SCHEMBL24419593 0.81 ESR1 (0.50) HRH3KMT2AMEN1CYP2D6CYP2C9
SCHEMBL21799653 0.80 OPRM1 (0.40) TPSAB1ANPEPERAP2HRH3LOXL2
SCHEMBL23075813 0.79 CYP3A4 (0.59) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL2581883 0.79 LOXL2 (0.43) TPSAB1ANPEPERAP2HRH3LOXL2
SCHEMBL5461543 0.78 MEN1 (0.56) KMT2AMEN1CYP3A4
SCHEMBL14354977 0.76 ALDH1A1 (0.48) KMT2AMEN1CYP3A4CA1CA2
SCHEMBL16072940 0.76 CHRM2 (0.58) LMNAHTT

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