SCHEMBL9375216

SCHEMBL9375216

Cn1cccc1Cn1cc[nH]c1=S

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DBH P09172 9/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
LPO P22079 1/20 0.46
PTGS1 P23219 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11079680 0.72 DBH (1.00) DBHALDH1A1POLBKMT2ACYP1A2
SCHEMBL11565383 0.68
SCHEMBL9369333 0.67 DBH (0.56) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10433726 0.66 KMT2A (0.56) DBHALDH1A1POLBKMT2ACYP1A2
SCHEMBL10621217 0.66 DBH (0.66) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL11565100 0.65
SCHEMBL10103709 0.65 MEN1 (0.44) ALDH1A1POLBKMT2ACYP3A4TSHR
SCHEMBL7531600 0.65 KMT2A (0.50) DBHALDH1A1POLBKMT2ACYP1A2
SCHEMBL10433727 0.64 POLB (0.63) DBHALDH1A1POLBKMT2ACYP1A2
SCHEMBL9585052 0.64 POLB (0.53) DBHALDH1A1POLBKMT2AATM

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
EP-0244803-B1 Novel dopamine beta hydroxylase inhibitors MERRELL DOW PHARMA (US) 1994-10-26 EP disclosed
US-4810800-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed
EP-0244803-A2 Novel dopamine beta hydroxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1987-11-11 EP disclosed