SCHEMBL30105033

SCHEMBL30105033

COc1cccc(NC(=O)Nc2cc(Br)ccc2CO)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
ALDH1A1 P00352 3/20 0.62
HTT P42858 3/20 0.62
NPC1 O15118 5/20 0.58
MAPT P10636 7/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MITF O75030 1/20 0.53
PKM P14618 1/20 0.53
PTGER3 P43115 1/20 0.53
POLB P06746 1/20 0.52
CCR3 P51677 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51

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
SCHEMBL23832095 1.00 RAB9A (0.62) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL23831618 0.87 RAB9A (0.45) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL30104969 0.87 RAB9A (0.45) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL30105020 0.87 SMN1; SMN2 (0.61) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL23832010 0.87 SMN1; SMN2 (0.61) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL23832042 0.86 GRIK1 (0.62) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL30792274 0.86 GRIK1 (0.62) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL23832112 0.86 MAPT (0.72) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL30105126 0.86 MAPT (0.72) RAB9AALDH1A1HTTNPC1MAPT
SCHEMBL23831901 0.85 HTT (0.50) RAB9AALDH1A1HTTMAPTTP53

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-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed