SCHEMBL2661683

SCHEMBL2661683

S=C1[C]=CC=CC1c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ABCB11 O95342 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NSD2 O96028 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MASP2 O00187 1/20 0.37
NUDT1 P36639 1/20 0.37
AOC3 Q16853 1/20 0.37
HTR2B P41595 2/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
GAA P10253 3/20 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
SCHEMBL2276872 0.64 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20677809 0.64 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7113519 0.64 KDM4E (0.39) KDM4EHTR2B
Hydrochloric Acid SCHEMBL31596380 0.63 MAPT (0.57) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13050232 0.63 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13050704 0.63 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7473764 0.63 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2674802 0.62 HTR2B (0.55) KDM4ENPC1RAB9AKMT2AHTR2B
SCHEMBL1298956 0.62 PARP1 (0.50) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6756134 0.62 NPC1 (0.59) KDM4ENPC1RAB9AKMT2AHTR2B

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
EP-1948652-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-07-30 EP claimed
WO-2007053345-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-05-10 WO claimed