SCHEMBL28059659

SCHEMBL28059659

C=C(Cl)CONc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.35
IDO1 P14902 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ALDH1A1 P00352 8/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
CTSD P07339 1/20 0.32
ALOX12 P18054 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL28217086 0.80 MAPT (0.43) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9322402 0.80 GPR174 (0.49) GPR174IDO1MAOAMAOBALDH1A1
SCHEMBL28059585 0.76 MAPT (0.50) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21933079 0.75 MAPT (0.52) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL28187507 0.74 HTT (0.38) IDO1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL941357 0.72 NAPRT (0.47) GPR174ALDH1A1MAPTMEN1KMT2A
SCHEMBL3937557 0.72 ALDH1A1 (0.39) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11313866 0.72 IDO1 (0.42) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27631576 0.71 HTT (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL941518 0.69 MAPT (0.43) ALDH1A1MAPTMEN1KMT2APTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed
CN-105492437-A Substituted benzofuranyl and benzoxazolyl compounds and uses thereof KARYOPHARM THERAPEUTICS INC 2016-04-13 CN disclosed