SCHEMBL11476143

SCHEMBL11476143

COc1cccc(Oc2cccnc2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
GRM5 P41594 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL11459830 0.86 MAPT (0.50) SMN1; SMN2ALDH1A1ARKDM4EMEN1
SCHEMBL8803364 0.82 SLC22A12 (0.45) FNTAFNTBPGGT1BSMN1; SMN2ALDH1A1
SCHEMBL11458038 0.82 CYP19A1 (0.54) FNTAFNTBPGGT1BSMN1; SMN2ALDH1A1
SCHEMBL6054468 0.81 ALDH1A1 (0.44) RAB9ASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL3179011 0.79 PLCG1 (0.47) RAB9ASMN1; SMN2ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL30209361 0.77 PLCG1 (0.46) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11473016 0.77 RAB9A (0.42) RAB9AFNTAFNTBPGGT1BDYRK1A
SCHEMBL1867048 0.77 DYRK1A (0.55) DYRK1ACLK4ARKDM4EHTT
SCHEMBL9038839 0.77 RAB9A (0.59) RAB9AFNTAFNTBPGGT1BDYRK1A
SCHEMBL8561327 0.75 POLB (0.73) RAB9AFNTAFNTBPGGT1BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229457-A TREATMENT OF SENILITY WARNER-LAMBERT COMPANY (US) 1980-10-21 US disclosed
US-4229457-A TREATMENT OF SENILITY WARNER-LAMBERT COMPANY (US) 1980-10-21 US disclosed
US-4187379-A ANTIAMNESIA AGENTS WARNER-LAMBERT COMPANY (US) 1980-02-05 US disclosed