SCHEMBL8964979

SCHEMBL8964979

Cc1nc(C)c(CCC(=O)O)c(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7505537 0.81 KDM4E (0.48) KDM4ENPSR1GAAEGLN1MAPT
SCHEMBL27442897 0.80 NPSR1 (0.40) KDM4ENPSR1HSD17B10GAANPC1
SCHEMBL8803148 0.80 L3MBTL1 (0.48) KDM4EHSD17B10GAAMEN1KMT2A
Acetic Acid SCHEMBL8807985 0.79 KDM4E (0.46) KDM4ENPSR1GAAPKMEGLN1
SCHEMBL12493933 0.77 KDM4E (0.32) KDM4EALDH1A1HTT
SCHEMBL3420317 0.75 AKR1B1 (0.42) KDM4EHSD17B10GAAGLAEGLN1
SCHEMBL857121 0.75 PDK2 (0.43) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL11099832 0.71 PKM (0.46) KDM4ENPSR1HSD17B10NPC1RAB9A
SCHEMBL30951419 0.70 HSD17B10 (0.39) KDM4ENPSR1HSD17B10GAANPC1
SCHEMBL27467895 0.70 KDM4E (0.44) KDM4ENPSR1HSD17B10GAANPC1

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
US-5498776-A Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 US disclosed
US-5256654-A Substituted pyrrolopyrimidines, azepinopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed