SCHEMBL7977071

SCHEMBL7977071

[CH2]Cc1nc(-c2ccccc2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
RAB9A P51151 8/20 0.64
NPC1 O15118 6/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.60
TSHR P16473 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NR1H4 Q96RI1 1/20 0.57
HTR1A P08908 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
S1PR1 P21453 1/20 0.54
MAPT P10636 3/20 0.54
CYP2D6 P10635 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL27657411 0.83 S1PR1 (0.61) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL18040200 0.81 NOTUM (0.70) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL17595755 0.81 NOTUM (1.00) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL28869608 0.81 NOTUM (0.68) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL12477652 0.81 NOTUM (0.69) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL2089284 0.81 NOTUM (0.68) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL655414 0.81 NOTUM (0.68) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL91541 0.81 NOTUM (0.68) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL7598545 0.79 S1PR1 (0.81) NOTUMRAB9ANPC1L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL5656477 0.79 NOTUM (0.67) NOTUMRAB9ANPC1L3MBTL1CYP1A2

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed