SCHEMBL29505633

SCHEMBL29505633

O=Cc1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.47
▸ P2RY14 Q15391 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ KIF11 P52732 2/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ IP6K1 Q92551 2/20 0.37
▸ IP6K3 Q96PC2 2/20 0.37
▸ IP6K2 Q9UHH9 1/20 0.37
▸ MMP12 P39900 1/20 0.37

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
SCHEMBL1160196 1.00 CYP2A6 (0.47) CYP2A6P2RY14MAPTKDM4EALDH1A1
SCHEMBL1876553 0.85 P2RY14 (0.48) CYP2A6P2RY14MAPTKDM4EALDH1A1
SCHEMBL1418704 0.85 HDAC1 (0.56) CYP2A6P2RY14MAPTKDM4EALDH1A1
SCHEMBL8541511 0.83 CYP2A6 (0.38) CYP2A6P2RY14MAPTKDM4EALDH1A1
SCHEMBL4236815 0.81 MAPT (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL10465738 0.81 MAPT (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL4588444 0.81 MAPT (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL1874507 0.78 P2RY14 (0.42) CYP2A6P2RY14MAPTKDM4EALDH1A1
SCHEMBL3051314 0.77 MAPT (0.41) P2RY14MAPTKDM4EALDH1A1APEX1
SCHEMBL1880854 0.77 TTR (0.54) MAPTKDM4EALDH1A1TDP1MMP12

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-4313972-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 — — EP disclosed
EP-4164638-A1 REJUVENATION OF AGED TISSUES AND ORGANS BY INHIBITION OF THE PGE2 DEGRADING ENZYME, 15-PGDH The Board of Trustees of the Leland Stanford Junior University (US) 2023-04-19 — — EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2022200577-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-29 — — WO disclosed
CN-114668761-A Novel ferroportin inhibitors 威佛(国际)股份公司 2022-06-28 — — CN disclosed
CN-108290878-B Novel ferroportin inhibitors 威佛(国际)股份公司 2022-04-26 — — CN disclosed
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