SCHEMBL7869027

SCHEMBL7869027

OB(Oc1nc2ccccc2s1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
LTA4H P09960 9/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 2/20 0.35
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
PNMT P11086 1/20 0.33

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
SCHEMBL9020793 0.72 RAB9A (0.45) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL2139179 0.72 KDM4E (0.54) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL6660060 0.70 CYP1A2 (0.49) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL30721098 0.70 CYP1A2 (0.49) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL9020874 0.69 PNMT (0.44) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL10033961 0.69 NPC1 (0.50) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL1478686 0.65 PNMT (0.52) SMN1; SMN2NPC1ALDH1A1RAB9AKCNH2
SCHEMBL9020401 0.64 NPC1 (0.39) NPC1RAB9ADRD2HTR7PNMT
SCHEMBL2143593 0.62 PNMT (0.45) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL18343747 0.62 PNMT (0.45) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1

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-6300502-B1 Multi-armed chromophores with very large two-photon absorption cross-sections THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2001-10-09 US disclosed
US-6100405-A Benzothiazole-containing two-photon chromophores exhibiting strong frequency upconversion THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-08-08 US disclosed