SCHEMBL10337231

SCHEMBL10337231

COc1c(C(=O)O)cnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
PDE4B Q07343 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL13955928 0.86 PDE4B (0.55) POLBALDH1A1HTTHPGDCYP1A2
SCHEMBL5514790 0.86 KDM4E (0.50) POLBALDH1A1HTTHPGDCYP1A2
SCHEMBL29277287 0.85 POLB (0.47) POLBALDH1A1HTTHPGDCYP1A2
SCHEMBL4770411 0.84 KDM4E (0.50) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL8882021 0.82 PDE10A (0.52) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL28851842 0.81 ALDH1A1 (0.40) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL16533517 0.79 LMNA (0.52) POLBALDH1A1HTTCYP3A4SMN1; SMN2
SCHEMBL3880885 0.79 LMNA (0.46) POLBALDH1A1HTTHPGDCYP1A2
SCHEMBL14472404 0.78 HTT (0.51) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL29454737 0.77 ALDH1A1 (0.45) POLBALDH1A1HTTHPGDCYP1A2

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
CN-105130954-A 3,4-disubstituted-6-pyridylquinoline compound as well as preparation and application thereof UNIV ZHEJIANG 2015-12-09 CN disclosed
US-4965266-A Antiallergens DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-10-23 US disclosed
EP-0298134-A1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1989-01-11 EP disclosed