SCHEMBL8322330

SCHEMBL8322330

COc1cc(OC)nc(C(=O)c2nccc(-c3ccccc3)c2C(=O)OCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 3/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
POLB P06746 2/20 0.37
DHODH Q02127 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL8406394 0.77 TDP1 (0.51) L3MBTL1RAB9ATSHRCASP3SENP8
SCHEMBL8323690 0.77 NPC1 (0.40) HCRTR1HCRTR2NPC1RAB9ADHODH
SCHEMBL9615079 0.75 ALDH1A1 (0.52) ATMALDH1A1SMN1; SMN2GAA
SCHEMBL9132567 0.73 ALDH1A1 (0.45) PRKCZPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL8325580 0.72 ALDH1A1 (0.38) PRKCZJMJD6NPC1RAB9APOLB
SCHEMBL9754362 0.72 ALDH1A1 (0.48) ATMALDH1A1SMN1; SMN2GAA
SCHEMBL8323688 0.72 CSNK2A1 (0.38) HCRTR1HCRTR2L3MBTL1NPC1ATM
SCHEMBL8323952 0.71 HCRTR1 (0.42) HCRTR1HCRTR2L3MBTL1LMNAKDM4E
SCHEMBL8325574 0.71 KMT2A (0.34) HCRTR1HCRTR2L3MBTL1NPC1TSHR
SCHEMBL8897258 0.71 ALDH1A1 (0.47) HCRTR1LMNAALDH1A1SMN1; SMN2KMT2A

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
EP-0752424-B1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-06-16 EP disclosed
US-5877120-A Nicotinic acid derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-03-02 US disclosed
EP-0752424-A1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-01-08 EP disclosed