Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5952473

C/C=C/C=C/C(=O)OCc1cccc2ccccc12.N

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 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
SCHEMBL1846381 0.89 EPHX1 (0.48) PARP10EPHX1ATMKMT2AMEN1
SCHEMBL1846382 0.89 EPHX1 (0.48) PARP10EPHX1ATMKMT2AMEN1
SCHEMBL2639206 0.85 EPHX1 (0.52) PARP10EPHX1ATMKMT2AMEN1
SCHEMBL2639202 0.85 EPHX1 (0.52) PARP10EPHX1ATMKMT2AMEN1
SCHEMBL29484778 0.77 MEN1 (0.51) PARP10EPHX1ATMKMT2AMEN1
SCHEMBL2167443 0.77 MEN1 (0.51) PARP10EPHX1ATMKMT2AMEN1
SCHEMBL1844660 0.77 MTNR1A (0.42) PARP10KMT2AMEN1LMNANPC1
SCHEMBL1844658 0.77 MTNR1A (0.42) PARP10KMT2AMEN1LMNANPC1
SCHEMBL27636866 0.75 HCAR2 (0.65) KMT2ATDP1LMNAMAPK1HTT
SCHEMBL1560436 0.75 HCAR2 (0.65) KMT2ATDP1LMNAMAPK1HTT

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
US-7070838-B2 Liquid crystalline compound, liquid crystal composition and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2006-07-04 — — US disclosed
US-20050007541-A1 Liquid crystalline compound, liquid crystal composition and their polymers JNC PETROCHEMICAL CORPORATION (JP) 2005-01-13 — — US disclosed
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