SCHEMBL10501883

SCHEMBL10501883

CC(O)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32
IDH1 O75874 1/20 0.31
CNR2 P34972 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL11616334 0.92 NPC1 (0.39) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL11416629 0.87 NPC1 (0.38) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4207564 0.87 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL416326 0.86 NPC1 (0.35) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31419499 0.85 NPC1 (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL1922438 0.85 NPC1 (0.34) NPC1RAB9ALMNA
SCHEMBL7243330 0.84 FFAR1 (0.38) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL29602508 0.84 PSEN1 (0.35) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL19379228 0.84 PSEN1 (0.35) NPC1RAB9AMAPTALDH1A1KDM4E
Bumetrizole SCHEMBL8054070 0.83 NPC1 (0.53) NPC1RAB9AMAPTALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074814-A9 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE THEREOF SUBLINO LIMITED (GB) 2025-05-22 WO disclosed
WO-2024074814-A1 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE SUBLINO LIMITED (GB) 2024-04-11 WO disclosed
US-4845180-A POLYURETHANES FOR CONTACT LENSES AND EYEGLASSES ALLERGAN, INC. (US) 1989-07-04 US disclosed