SCHEMBL27709478

SCHEMBL27709478

O=C(Cc1ccccc1)Oc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ KDM4C Q9H3R0 2/20 0.48
▸ PARP1 P09874 3/20 0.48
▸ MAOB P27338 3/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ TNKS2 Q9H2K2 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ QTRT1 Q9BXR0 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TNKS O95271 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GAA P10253 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
SCHEMBL11584959 0.83 HSD17B10 (0.55) KMT2ASMN1; SMN2MAPK1RAB9AKDM4E
SCHEMBL6473755 0.77 KDM4C (0.75) KMT2AKDM4CPARP1MAOBTNKS2
SCHEMBL28503293 0.73 PARP1 (0.59) KMT2AKDM4CPARP1MAOBPARP2
SCHEMBL148952 0.72 TNKS2 (0.61) PARP1TNKS2QTRT1RAB9ATNKS
SCHEMBL31070299 0.72 TNKS2 (0.61) PARP1TNKS2QTRT1RAB9ATNKS
SCHEMBL28502323 0.71 HCAR2 (0.53) KMT2AKDM4CPARP1MAOBPARP2
Hydrochloric Acid SCHEMBL15709417 0.71 TNKS2 (0.59) PARP1TNKS2QTRT1RAB9ATNKS
Hydrochloric Acid SCHEMBL15742407 0.71 KDM4C (0.65) KMT2AKDM4CPARP1TNKS2QTRT1
SCHEMBL3558037 0.70 KDM4E (0.66) KMT2APARP1PARP2TNKS2SMN1; SMN2
SCHEMBL27729998 0.70 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2MAPK1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208094-B Pharmacokinetic improved compounds SURFACE LOGIX, INC. (US) 2014-10-15 — — CN disclosed
CN-101208094-A Pharmacokinetic improved compounds SURFACE LOGIX INC (US) 2008-06-25 — — CN disclosed
Send feedback