Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4590278

CC(C)Cc1ccc2cc1-2.N

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
BCL2L1 Q07817 2/20 0.32
MCL1 Q07820 2/20 0.32
SGK1 O00141 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
ADK P55263 1/20 0.31
BCL2L11 O43521 1/20 0.30
BAK1 Q16611 1/20 0.30
RARA P10276 1/20 0.30

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
SCHEMBL3031707 0.82 KMT2A (0.43) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL8335585 0.75 GABRA1 (0.40) GABRA1GABRB2KMT2AELANECTSG
Ammonia Solution, Strong SCHEMBL4590632 0.73
SCHEMBL15996640 0.72 ALDH1A1 (0.37) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL6859350 0.72 GABRA1 (0.37) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL24826284 0.70 KCNH2 (0.42) GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL4591099 0.70 ALOX5 (0.46) GABRA1GABRB2ELANECTSGRARA
SCHEMBL2095531 0.70 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL12304071 0.69 AKR1C3 (0.43) GABRA1GABRB2ELANECTSG
SCHEMBL6859341 0.69 GCGR (0.34) GABRA1GABRB2SGK1CAMKK2

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
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 US disclosed