SCHEMBL24709283

SCHEMBL24709283

N=C1NCCN1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 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
Bromide SCHEMBL31141400 0.98 SIGMAR1 (0.52) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL5698242 0.82 MAPT (0.42) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL146714 0.77 NPC1 (0.56) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL2670562 0.75 ALDH1A1 (0.45) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL14223264 0.75 SIGMAR1 (0.43) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL10800951 0.75 KEAP1 (0.44) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL8996705 0.75 ALOX5 (0.45) MEN1KMT2AALOX5POLBMAPT
SCHEMBL6182088 0.75 MAPT (0.36) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6408693 0.75 ALDH1A1 (0.38) SIGMAR1ALOX5HTR3EHTR3BHTR3A
SCHEMBL6224361 0.72 NPC1 (0.50) SIGMAR1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1180311-A Use of 'alpha' 1L agonists in treatment of incontinence BOEHRINGER INGELHEIM KG (DE) 1998-04-29 CN claimed
WO-2022257581-A1 A CLASS OF IMIDAZOLIDINOPYRIMIDONE COMPOUNDS AND USE THEREOF IN TREATMENT OF HSCLPP-MEDIATED DISEASES 四川大学 2022-12-15 WO disclosed
CN-1491216-A Novel alkylphenylimidazolidine derivatives for the treatment of urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 CN disclosed
CN-1471514-A Novel M-amino-phenylimino-imidazolidone derivatives for treating urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-01-28 CN disclosed