SCHEMBL20004329

SCHEMBL20004329

Cc1ccc(-c2ccc(N(C)CCO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
SLC9A5 Q14940 1/20 0.39
CNR1 P21554 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37
RAB9A P51151 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
POLB P06746 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CYBB P04839 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL194538 0.94 ALDH1A1 (0.48) L3MBTL1ALDH1A1TSHRSLC9A5NOX1
Hydrochloric Acid SCHEMBL29018536 0.92 ALDH1A1 (0.46) L3MBTL1ALDH1A1TSHRSLC9A5NOX1
SCHEMBL18538525 0.86 L3MBTL1 (0.43) L3MBTL1ALDH1A1TSHRSLC9A5CNR1
SCHEMBL19823015 0.83 MMP14 (0.43) L3MBTL1ALDH1A1TSHRNOX1KDM4E
SCHEMBL22537499 0.83 MMP13 (0.44) L3MBTL1ALDH1A1TSHRTDP1HSD17B1
SCHEMBL22537676 0.82 L3MBTL1 (0.43) L3MBTL1NOX1RAB9APOLBCYBB
SCHEMBL22537682 0.82 ALDH1A1 (0.44) ALDH1A1TSHRCNR1MAPTMCOLN3
SCHEMBL6449723 0.82 ALDH1A1 (0.44) L3MBTL1ALDH1A1TSHRCNR1KDM4E
SCHEMBL20004343 0.80 APP (0.49) ALDH1A1TSHRMAPTMCOLN3
SCHEMBL14303779 0.80 ALDH1A1 (0.43) L3MBTL1ALDH1A1TSHRCNR1KDM4E

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-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed