SCHEMBL9188508

SCHEMBL9188508

COc1ccc(-c2c(C(=O)N3CCOCC3)sc3ccc(Br)cc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 7/20 0.50
MEN1 O00255 3/20 0.50
PRKCZ Q05513 1/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.47
JAK2 O60674 1/20 0.47
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ERN1 O75460 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL8759517 0.88 PRKCZ (0.55) MAPTNPC1KMT2AMEN1PRKCZ
SCHEMBL8759782 0.88 NPC1 (0.53) MAPTNPC1KMT2AMEN1PRKCZ
SCHEMBL8759564 0.86 JAK2 (0.51) MAPTNPC1KMT2AMEN1PRKCZ
SCHEMBL9184045 0.85 HPGD (0.55) MAPTNPC1KMT2AMEN1PRKCZ
SCHEMBL9431313 0.80 KMT2A (0.55) MAPTNPC1KMT2AMEN1MAPK1
SCHEMBL9188762 0.77 RAB9A (0.52) MAPTNPC1KMT2AMEN1PRKCZ
SCHEMBL8759258 0.74 UBE2N (0.55) MAPTNPC1KMT2AMEN1JAK2
SCHEMBL21189595 0.72 KMT2A (0.64) MAPTKMT2AGLAHPGDSMN1; SMN2
SCHEMBL1608957 0.71 CES2 (0.55) MAPTNPC1KMT2AMEN1PRKCZ
SCHEMBL1608941 0.71 HPGD (0.58) MAPTNPC1KMT2AMEN1PRKCZ

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-5475132-A Fungicide intermediates RHONE-POULENC AGROCHIMIE (FR) 1995-12-12 US disclosed
US-5342835-A Antifungal agents based on amides containing a phenyl group RHONE-POULENC AGROCHIMIE (FR) 1994-08-30 US disclosed