SCHEMBL9019316

SCHEMBL9019316

c1ccc(C(Oc2nccs2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRL1 P41146 1/20 0.36
ACP1 P24666 1/20 0.36
NR3C1 P04150 1/20 0.36
CTSA P10619 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 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
SCHEMBL11084533 0.78 SMN1; SMN2 (0.42) SLC6A3SMN1; SMN2LMNATSHRNPC1
SCHEMBL10779085 0.75 CTSA (0.49) CTSA
SCHEMBL11228306 0.73 SLC6A4 (0.49) LMNATSHRRAB9AALDH1A1CYP3A4
SCHEMBL28307500 0.73 SLC6A3 (0.40) PDPK1SLC6A3LMNATSHROPRL1
SCHEMBL11821000 0.72 LMNA (0.40) SLC6A3SMN1; SMN2LMNATSHRNPC1
SCHEMBL557936 0.71 ALOX5 (0.56) PDPK1SLC6A3LMNATSHRCTSA
SCHEMBL2110045 0.71 TLR4 (0.49) PDPK1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL1367047 0.70
SCHEMBL2975785 0.69 ALOX5 (0.43) PDPK1SLC6A3LMNATSHRNR3C1
SCHEMBL18207227 0.68 UGT2B7 (0.42) SLC6A3NPC1RAB9AALDH1A1ADRA2A

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
US-5576216-A Universal standard reagents, method of preparing same and use thereof Patchornik, Zipora (IL) 1996-11-19 US disclosed
EP-0650595-A4 UNIVERSAL STANDARD REAGENTS, METHOD OF PREPARING SAME AND USE THEREOF. PATCHORNIK ZIPORA (IL) 1996-08-21 EP disclosed
EP-0650595-A1 UNIVERSAL STANDARD REAGENTS, METHOD OF PREPARING SAME AND USE THEREOF PATCHORNIK, Zipora (IL) 1995-05-03 EP disclosed
WO-1994001771-A1 UNIVERSAL STANDARD REAGENTS, METHOD OF PREPARING SAME AND USE THEREOF PATCHORNIK, ZIPORA (IL) 1994-01-20 WO disclosed