SCHEMBL8375770

SCHEMBL8375770

CC(C)(C)ON(C=O)CCOc1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.37
CDH1 P12830 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMPD1 P17405 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8375555 0.90 NPC1 (0.35) CXCR1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8374994 0.89 THRB (0.38) CXCR1MAPTHPGDSMPD1THRB
SCHEMBL8375019 0.89 NOTUM (0.41) SMN1; SMN2NOTUMMAPTMEN1KMT2A
SCHEMBL8376906 0.89 CXCR1 (0.40) CXCR1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8375559 0.89 CXCR1 (0.41) CXCR1NPC1RAB9ASMPD1
SCHEMBL8379540 0.89 ALDH1A1 (0.38) CXCR1KDM4ETDP1NPC1RAB9A
SCHEMBL8378889 0.89 CXCR1 (0.32) CXCR1SMPD1
SCHEMBL8378946 0.89 CXCR1 (0.40) CXCR1
SCHEMBL8380099 0.89 TP53 (0.42) CXCR1MAPTNPC1RAB9ATHRB
SCHEMBL8380142 0.88 HPGD (0.42) CXCR1SMN1; SMN2MAPTKMT2ANPC1

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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed