SCHEMBL7982340

SCHEMBL7982340

O=C(NCCCO)c1cc(O)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
RAD52 P43351 1/20 0.49
HTT P42858 2/20 0.48
HIF1A Q16665 1/20 0.47
MAPT P10636 1/20 0.47
SPR P35270 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL478989 0.89 LMNA (0.59) MEN1KMT2ACACNA1BAPBA1HTT
SCHEMBL20606513 0.83 EGFR (0.59) POLBKDM4EALDH1A1HPGD
SCHEMBL20606528 0.83 HTT (0.57) MEN1KMT2ACACNA1BAPBA1POLB
SCHEMBL16833090 0.83 MEN1 (0.55) MEN1KMT2ACACNA1BAPBA1POLB
SCHEMBL20460325 0.82 ALOX15 (0.63) OPRM1TMEM97SIGMAR1
SCHEMBL18736526 0.81 HDAC1 (0.50) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20606393 0.80 SMN1; SMN2 (0.54) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL31497721 0.77 SMN1; SMN2 (0.60) MEN1KMT2APOLBRAB9AHTT
SCHEMBL11114138 0.76 P2RY12 (0.46) MEN1KMT2ACACNA1BAPBA1POLB
SCHEMBL2546886 0.76 RAB9A (0.52) MEN1KMT2APOLBRAB9AMAPT

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
WO-2010003475-A2 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-01-14 WO disclosed
EP-0107938-A1 Quinoline or hydroquinoline compounds, their preparation and pharmaceutical compostions comprising them KOWA COMPANY, LTD. (JP) 1984-05-09 EP disclosed