Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8909178

CC(C)Oc1ccccc1.N

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
ALDH1A3 P47895 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA4 P22748 1/20 0.46
PARP10 Q53GL7 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL12394 0.97 KMT2A (0.54) KMT2AALDH1A1LMNAGAAMEN1
Phosphine SCHEMBL28772208 0.94 KMT2A (0.52) KMT2AALDH1A1LMNAGAAMEN1
Hydrogen Sulfide SCHEMBL27992657 0.94 KMT2A (0.52) KMT2AALDH1A1LMNAGAAMEN1
Hydrochloric Acid SCHEMBL6570767 0.92 KMT2A (0.50) KMT2AALDH1A1LMNAGAAMEN1
Methylamine SCHEMBL27820445 0.92 KMT2A (0.50) KMT2AALDH1A1LMNAGAAMEN1
Ethylene SCHEMBL28227817 0.92 KMT2A (0.50) KMT2AALDH1A1LMNAGAAMEN1
SCHEMBL28153666 0.90 KMT2A (0.49) KMT2AALDH1A1LMNAGAAMEN1
SCHEMBL9658587 0.87 LTA4H (0.57) KMT2AALDH1A1LMNAGAAMEN1
SCHEMBL12960634 0.87 KMT2A (0.52) KMT2AALDH1A1LMNAGAAMEN1
Anisole SCHEMBL28836834 0.87 CA4 (0.67) KMT2AALDH1A1LMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed