SCHEMBL4946074

SCHEMBL4946074

O=C(Nc1ccccc1O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.73
RAB9A P51151 4/20 0.73
TP53 P04637 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 2/20 0.66
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
KCNMA1 Q12791 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
MDM4 O15151 1/20 0.63
HDAC3 O15379 1/20 0.63
MAPK1 P28482 1/20 0.63
POLB P06746 1/20 0.63
HPGD P15428 1/20 0.63
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL1470784 1.00 NPC1 (0.73) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL6029925 0.94 NPC1 (0.82) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL462324 0.88 MEN1 (0.66) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL3661213 0.88 NPC1 (0.74) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL5314528 0.88 NPC1 (0.59) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL1110180 0.87 MDM4 (0.73) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL308111 0.86 NPC1 (0.72) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL6067716 0.85 HDAC1 (0.66) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL11523681 0.85 NPC1 (1.00) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL16404286 0.85 NPC1 (0.70) NPC1RAB9ATP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116218033-B Application of organic material in preparing color-changeable polymer material 四川大学 2025-03-14 CN disclosed
CN-119391158-A Laser color marking composition for black ground color, and preparation method and application thereof 四川大学 2025-02-07 CN disclosed
CN-116218033-A Application of organic material in preparing color-changeable polymer material 四川大学 2023-06-06 CN disclosed
EP-2008092-A2 POLYMERIC SULFATED SURFACTANTS FOR CAPILLARY ELECTROPHORESIS (CE) AND CE-MASS SPECTROMETRY (CE-MS) GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-12-31 EP disclosed
WO-2007112444-A2 POLYMERIC SULFATED SURFACTANTS FOR CAPILLARY ELECTROPHORESIS (CE) AND CE-MASS SPECTROMETRY (CE-MS) GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-10-04 WO disclosed