Cyanide

Cyanide

SCHEMBL27389366

C#N.COc1cccc(I)c1OC

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NFE2L2 Q16236 5/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL30350539 0.94 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL4156068 0.94 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL9376529 0.86 SMN1; SMN2 (0.44) SMN1; SMN2CA12CA1CA2CA4
Cyanide SCHEMBL31190156 0.84 SMN1; SMN2 (0.54) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL3648629 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL25434306 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL27753904 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL151213 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL3711484 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL22588491 0.75 MAPK1 (0.48) SMN1; SMN2CA12CA1CA2CA4

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
CN-1191249-C Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2005-03-02 CN disclosed
CN-1403453-A Quinoline and quinazoline compound for treating benign prostatic hyperplasia specially PFIZER (US) 2003-03-19 CN disclosed
CN-1093858-C Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2002-11-06 CN disclosed
CN-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 CN disclosed