SCHEMBL10644152

SCHEMBL10644152

Nc1cnnn1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
GRM2 Q14416 1/20 0.48
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PTK2 Q05397 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL10643153 0.80 SLC2A1 (0.57) GRM2CYP11B1CYP11B2RAB9AIDO1
SCHEMBL1371186 0.80 KDM4E (0.54) GRM2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1460580 0.76 ALDH1A1 (0.58) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL16832960 0.76 SLC2A1 (0.68) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL10643826 0.76 CA5A (0.40) L3MBTL1ALDH1A1TAAR1KMT2A
SCHEMBL18321167 0.73 GRM2 (0.52) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL17459009 0.73 L3MBTL1 (0.48) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL17731466 0.72 L3MBTL1 (0.54) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL1460583 0.72 CYP11B1 (0.51) L3MBTL1CYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL16166445 0.71 GAA (0.56) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1

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
EP-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP disclosed