Thiocyanic Acid

Thiocyanic Acid

SCHEMBL6909048

Cc1ccc(SC#N)cc1.N#CS

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 7/20 0.52
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CYP2A6 P11509 1/20 0.41
POLB P06746 1/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
GFER P55789 1/20 0.36
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
DNMT1 P26358 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ERBB2 P04626 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL171086 0.93 MAPT (0.58) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL21027662 0.86 MAPT (0.52) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL20861898 0.86 MAPT (0.52) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL24296678 0.83 ALDH1A1 (0.48) MAPTALDH1A1CA2CA5ACYP2A6
P-Xylene SCHEMBL10339754 0.80 ALDH1A1 (0.58) MAPTALDH1A1CA2CYP2A6TDP1
SCHEMBL4408306 0.80 ALDH1A1 (0.64) MAPTALDH1A1CA2CA5APOLB
P-Xylene SCHEMBL10339755 0.80 ALDH1A1 (0.58) MAPTALDH1A1CA2CYP2A6TDP1
SCHEMBL21632569 0.77 MAPT (0.43) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL19605694 0.73 MAPT (0.58) MAPTALDH1A1CA2CA5APOLB
SCHEMBL25056632 0.73 ALDH1A1 (0.40) MAPTALDH1A1CA2CA5APOLB

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
EP-1187857-B1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEM CO (US) 2004-01-21 EP disclosed