SCHEMBL5166274

SCHEMBL5166274

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(NC)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.38
KDM1A O60341 1/20 0.38
GRK6 P43250 1/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
ACHE P22303 1/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL110473 0.88 IDO1 (0.44) CNR2ALDH1A1TSHRIDO1KDM1A
Hydrochloric Acid SCHEMBL11238001 0.86 IDO1 (0.43) CNR2ALDH1A1TSHRIDO1KDM1A
SCHEMBL3901015 0.85 KDM1A (0.47) CNR2ALDH1A1TSHRKDM1AGRK6
SCHEMBL13679218 0.84 KEAP1 (0.47) CNR2ALDH1A1TSHRIDO1KDM1A
SCHEMBL12206075 0.82 KDM1A (0.44) CNR2ALDH1A1TSHRKDM1AGRK6
SCHEMBL3890196 0.81 GRK6 (0.40) CNR2ALDH1A1TSHRKDM1AGRK6
SCHEMBL11317260 0.80 ALDH1A1 (0.43) CNR2ALDH1A1TSHRKDM1AGRK6
SCHEMBL12371971 0.80 KDM4E (0.42) ALDH1A1TSHRKDM1AMEN1NPC1
SCHEMBL12206195 0.80 KEAP1 (0.43) ALDH1A1TSHRIDO1KDM1AMEN1
SCHEMBL14551352 0.79 PANK3 (0.39) CNR2ALDH1A1IDO1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11163098-B2 Optical filter and optical sensor device JSR CORPORATION (JP) 2021-11-02 US disclosed
US-20190227207-A1 OPTICAL FILTER AND OPTICAL SENSOR DEVICE JSR CORPORATION (JP) 2019-07-25 US disclosed
EP-1771150-A1 CATIONIC AZO COMPOUNDS AS DIRECT DYES FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-04-11 EP disclosed
WO-2006013036-A1 CATIONIC AZO COMPOUNDS AS DIRECT DYES FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-02-09 WO disclosed
EP-1430874-A2 4-N, N-Bis-(monohydroxyalkyl)amino-3-nitrophenol derivatives in dyeing compositions for keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 EP disclosed