Sugi Predict

Sugi Predict / Compounds / SCHEMBL28113790

SCHEMBL28113790

SCHEMBL28113790

C=[C]c1cccc2ccccc12.C[C]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CHAT P28329 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP2A6 P11509 3/20 0.40
▸ GRM5 P41594 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ CYP1A2 P05177 4/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ HPRT1 P00492 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL507946 0.89 CA1 (0.47) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL5081427 0.78 HPRT1 (0.58) CA1CA2ALDH1A1CYP2A6TSHR
SCHEMBL1663806 0.76 ALDH1A1 (0.48) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL9004 0.76 CA1 (0.52) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL1611988 0.72 CHAT (0.53) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL10481630 0.72 CA1 (0.53) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL8911901 0.72 CA1 (0.47) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL5865111 0.72 CA1 (0.47) CA1CA2CHATALDH1A1CYP2A6
Formaldehyde SCHEMBL28349296 0.71 CA1 (0.68) CA1CA2CHATALDH1A1CYP2A6
SCHEMBL1033618 0.71 ALDH1A1 (0.41) CA1CA2ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107112429-B Organic electroluminescence device 保土谷化学工业株式会社 2019-11-22 — — CN disclosed
CN-110088926-A Organic electroluminescent device 保土谷化学工业株式会社 2019-08-02 — — CN disclosed
CN-109966165-A The manufacturing method of hair dyeing dye composite and the composition 保土谷化学工业株式会社 2019-07-05 — — CN disclosed
CN-107112425-B Organic electroluminescence device 保土谷化学工业株式会社 2019-05-17 — — CN disclosed
CN-106103440-B Compound, luminescent material and organic electroluminescence device with the tetrazine and phenanthrene ring structure 保土谷化学工业株式会社 2019-03-26 — — CN disclosed
CN-106716666-B Organic electroluminescent device 保土谷化学工业株式会社 2019-01-08 — — CN disclosed
CN-107534093-A Organic electroluminescence device 保土谷化学工业株式会社 2018-01-02 — — CN disclosed
CN-107431142-A Organic electroluminescence device 保土谷化学工业株式会社 2017-12-01 — — CN disclosed
CN-107112429-A Organic electroluminescence device 保土谷化学工业株式会社 2017-08-29 — — CN disclosed
CN-107112425-A Organic electroluminescence device 保土谷化学工业株式会社 2017-08-29 — — CN disclosed
CN-107078226-A Organic electroluminescent device 保土谷化学工业株式会社 2017-08-18 — — CN disclosed
CN-107004773-A Organic electroluminescence device 保土谷化学工业株式会社 2017-08-01 — — CN disclosed
CN-106716666-A Organic electroluminescent device 保土谷化学工业株式会社 2017-05-24 — — CN disclosed
CN-103038215-B Compound having indenocarbazole ring structure and organic electroluminescent device 保土谷化学工业株式会社 2016-12-07 — — CN disclosed
CN-106103440-A There is the tetrazine the compound of phenanthrene ring structure, luminescent material and organic electroluminescence device 保土谷化学工业株式会社 2016-11-09 — — CN disclosed