SCHEMBL31615519

SCHEMBL31615519

Nc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.95
RAB9A P51151 6/20 0.95
SMN1; SMN2 Q16637 5/20 0.95
ALDH1A1 P00352 5/20 0.95
MAPK1 P28482 4/20 0.95
CYP3A4 P08684 2/20 0.95
TSHR P16473 2/20 0.95
TP53 P04637 1/20 0.95
TDP1 Q9NUW8 1/20 0.95
PTPRC P08575 4/20 0.91
MEN1 O00255 3/20 0.91
KMT2A Q03164 3/20 0.91
S100A4 P26447 3/20 0.91
LMNA P02545 3/20 0.91
PLA2G1B P04054 3/20 0.91
ATG4B Q9Y4P1 3/20 0.91
APAF1 O14727 2/20 0.91
TDP2 O95551 2/20 0.91
POLB P06746 2/20 0.91
PLCG1 P19174 2/20 0.91

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
SCHEMBL760965 1.00 NPC1 (0.95) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL30482647 1.00 NPC1 (0.95) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
Anthraquinone SCHEMBL23363689 0.98 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL40960 0.98 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL31290097 0.98 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL30043508 0.95 PTPRC (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
Benzene SCHEMBL28832927 0.95 NPC1 (0.95) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1143226 0.95 PTPRC (0.91) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2599178 0.95 PTPRC (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL6262683 0.91 PTPRC (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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
EP-4605247-A1 ELASTOMERIC COMPOSITIONS FOR TYRES COMPRISING NNEEWW CROSS-LINKING FUNCTIONALISING AGENTS, ELASTOMERIC COMPOUNDS AND TYRES COMPRISING THEM Pirelli Tyre S.p.A. (IT) 2025-08-27 EP disclosed
WO-2024084386-A9 ELASTOMERIC COMPOSITIONS FOR TYRES COMPRISING NNEEWW CROSS-LINKING FUNCTIONALISING AGENTS, ELASTOMERIC COMPOUNDS AND TYRES COMPRISING THEM PIRELLI TYRE S.P.A. (IT) 2025-06-12 WO disclosed