SCHEMBL27413435

SCHEMBL27413435

CC(=O)Nc1ccc([As](=O)(O)OO)cc1.N#Cc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
PLA2G7 Q13093 2/20 0.41
ALDH1A1 P00352 5/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.38
DHODH Q02127 2/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4342180 0.82 ESR2 (0.56) KMT2AALDH1A1AKR1C3AKR1C1NAPRT
Benzene SCHEMBL28089344 0.82 KMT2A (0.64) KMT2AALDH1A1LMNANAPRTHSD17B10
SCHEMBL27529830 0.81 NPC1 (0.44) KMT2AALDH1A1LMNAMAPTNPC1
Water SCHEMBL28269550 0.80 KMT2A (0.66) KMT2AALDH1A1LMNANAPRTHSD17B10
SCHEMBL27290130 0.79 KMT2A (0.68) KMT2AALDH1A1LMNANAPRTHSD17B10
SCHEMBL28865497 0.78 KMT2A (0.55) KMT2AALDH1A1LMNANAPRTHSD17B10
Phenol SCHEMBL27593878 0.78 KMT2A (0.55) KMT2AALDH1A1LMNANAPRTHSD17B10
Toluene SCHEMBL28309354 0.78 KMT2A (0.55) KMT2AALDH1A1NAPRTHSD17B10MAPT
Benzoic Acid SCHEMBL27466869 0.77 KMT2A (0.54) KMT2AALDH1A1NAPRTHSD17B10MAPT
Acetophenone SCHEMBL27842181 0.77 KMT2A (0.54) KMT2AALDH1A1NAPRTHSD17B10MAPT

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
CN-1101908-A Angiotensin II antagonists LILLY CO ELI (US) 1995-04-26 CN disclosed