SCHEMBL6981798

SCHEMBL6981798

N#CNC(=S)Nc1ccc([N+](=O)[O-])cc1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
MAPT P10636 7/20 0.55
LMNA P02545 6/20 0.55
HTT P42858 5/20 0.55
GAA P10253 2/20 0.55
ALOX12 P18054 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
GLA P06280 1/20 0.51
CYP19A1 P11511 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA1 P00915 1/20 0.48

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
SCHEMBL8983488 0.98 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6981800 0.97 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6301912 0.83 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL14633632 0.83 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6162468 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL8983560 0.81 KMT2A (0.68) ALDH1A1SMN1; SMN2MAPTHTTALOX12
SCHEMBL6297678 0.78 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL458335 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL4050791 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL5078630 0.77 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed