SCHEMBL18909199

SCHEMBL18909199

Nc1cc2cc3sc4cc5ccsc5cc4c3cc2s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
DYRK1A Q13627 1/20 0.37
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4424842 0.91 BACE1 (0.43) BACE1DYRK1ACYP2A6ALDH1A1
SCHEMBL18909194 0.87 BACE1 (0.41) BACE1DYRK1ACYP2A6
SCHEMBL4424866 0.85 BACE1 (0.42) BACE1DYRK1ACYP2A6
SCHEMBL21999748 0.85 CYP2A6 (0.41) DYRK1ACYP2A6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17010912 0.85 CYP2A6 (0.41) DYRK1ACYP2A6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18352047 0.81 CYP2A6 (0.38) DYRK1ACYP2A6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16706178 0.81 CYP2A6 (0.38) DYRK1ACYP2A6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24512376 0.80 CYP2A6 (0.37) DYRK1ACYP2A6
SCHEMBL17970609 0.80 CYP2A6 (0.37) DYRK1ACYP2A6
SCHEMBL17970608 0.80 CYP2A6 (0.37) DYRK1ACYP2A6

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