SCHEMBL17892146

SCHEMBL17892146

CC(C)C(C(N)=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
EPHX1 P07099 4/20 0.47
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
FFAR2 O15552 1/20 0.41
POLB P06746 1/20 0.39
HPGD P15428 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
SCHEMBL17892145 1.00 ALOX5 (0.53) ALOX5EPHX1CYP1A2MEN1KMT2A
SCHEMBL29639815 0.83 FFAR2 (0.47) EPHX1SMN1; SMN2FFAR2
SCHEMBL9936881 0.82 AKR1C3 (0.50) ALOX5CYP1A2KMT2ASMN1; SMN2FFAR2
SCHEMBL16260345 0.82 CYP1A2 (0.52) ALOX5CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL17892287 0.82 AKR1C3 (0.50) ALOX5CYP1A2KMT2ASMN1; SMN2FFAR2
SCHEMBL1885337 0.81 KMT2A (0.58) ALOX5CYP1A2KMT2ASMN1; SMN2FFAR2
Hydrochloric Acid SCHEMBL10921100 0.80 AKR1C3 (0.49) ALOX5CYP1A2KMT2ASMN1; SMN2FFAR2
SCHEMBL11316797 0.80 FFAR2 (0.42) FFAR2
SCHEMBL11406722 0.80 AKR1C3 (0.49) ALOX5CYP1A2KMT2ASMN1; SMN2FFAR2
SCHEMBL9966551 0.80 CYP1A2 (0.46) ALOX5CYP1A2MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed