SCHEMBL27417845

SCHEMBL27417845

CC(=O)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KMT2A Q03164 4/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NTSR1 P30989 1/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
ALOX15 P16050 1/20 0.41
MAP2 P11137 1/20 0.41
RHEB Q15382 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL24198762 0.86 HRH4 (0.44) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL11229272 0.85 MAPT (0.47) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL523253 0.85 RHEB (0.54) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL25812917 0.84 HRH4 (0.48) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL29414225 0.83 KMT2A (0.46) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL3064168 0.83 KMT2A (0.46) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL7705452 0.83 NR4A2 (0.48) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL24754421 0.83 ALOX15 (0.52) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL23835759 0.83 HRH4 (0.44) HRH4HRH3KMT2AMAPTALDH1A1
SCHEMBL26241758 0.81 PIN1 (0.57) HRH4KMT2AMAPTALDH1A1MEN1

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
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed