SCHEMBL6562916

SCHEMBL6562916

Oc1ccccc1-c1cnc(-c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
CASP1 P29466 1/20 0.62
RAB9A P51151 7/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MITF O75030 1/20 0.54
NPC1 O15118 6/20 0.53
ATM Q13315 1/20 0.53
PTPN1 P18031 5/20 0.52
HPGD P15428 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
NFKB1 P19838 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL30288200 0.87 NPC1 (0.49) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL10495074 0.86 RAB9A (0.66) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL4343347 0.84 ALOX15 (0.69) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL29231867 0.79 TSHR (0.62) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL29231708 0.79 RAB9A (0.76) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL7902862 0.79 RAB9A (0.63) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL74359 0.79 ALOX15 (0.96) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL10726923 0.77 ALOX15 (1.00) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL75219 0.77 ALOX15 (1.00) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL10495096 0.77 PTPN1 (0.73) ALOX15TSHRCASP1RAB9AKMT2A

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
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed