SCHEMBL18909178

SCHEMBL18909178

Nc1cc2sc3ccccc3c2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
ALDH1A1 P00352 9/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 5/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
GLA P06280 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 7/20 0.41
LIMK1 P53667 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
IKBKB O14920 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL12681760 0.77 GPR35 (0.39) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL14854117 0.75 ALDH1A1 (0.55) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL17340900 0.75 GPR3 (0.52) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL28316922 0.74 GPR3 (0.93) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL29700327 0.71 GPR3 (0.67) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL430470 0.71 GPR3 (0.67) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL13294 0.71 GPR3 (1.00) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL14659543 0.71 GPR3 (1.00) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL30167635 0.71 GPR3 (1.00) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL11785606 0.71 ALDH1A1 (0.60) GPR3ALDH1A1RAB9AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017089952-A1 DEGRADABLE CONJUGATED POLYMERS The Board of Trustees of the Leland Stanford Junior University Office of the General Counsel (US) 2017-06-01 WO disclosed