SCHEMBL7787793

SCHEMBL7787793

CCN(C(=N)Nc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
ALDH1A1 P00352 3/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4097943 0.86 KMT2A (0.53) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL11842165 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL8400925 0.80 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL4304223 0.79 MEN1 (1.00) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL18762979 0.77 MEN1 (0.57) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL6721398 0.77 SIGMAR1 (0.47) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL27042408 0.76 MEN1 (0.71) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL7528801 0.76 HSD17B10 (0.40) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL9113008 0.76 HTT (0.49) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL109209 0.75 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251948-B1 Tri-and tetra-substituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON 2001-06-26 US claimed