Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6619954

CCC(C)(C)Nc1ccc2ccccc2n1.N

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.56
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
ELANE P08246 1/20 0.46
MAPT P10636 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA2D1 P54289 1/20 0.40

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
SCHEMBL12199211 0.83 NCF1 (0.56) NCF1CCNE2CDK4CCND1CCNE1
SCHEMBL11671 0.80 NCF1 (0.67) NCF1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7511217 0.75 NCF1 (0.60) NCF1ELANENPC1RAB9ASMN1; SMN2
SCHEMBL3454910 0.74 NCF1 (0.64) NCF1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28209320 0.74 NCF1 (0.58) NCF1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5506476 0.73 NCF1 (1.00) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3956730 0.72 TLR8 (0.56) NCF1ELANENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL15842393 0.71 NCF1 (0.95) NCF1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7399656 0.71 NCF1 (0.95) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6700266 0.71 NCF1 (0.55) NCF1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP claimed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP claimed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO claimed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO disclosed