SCHEMBL9535642

SCHEMBL9535642

COc1cc(N)c(N)c(Cc2ccc(F)cc2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP19A1 P11511 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
FYN P06241 1/20 0.39
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38
TUBA3E Q6PEY2 4/20 0.38
TUBA1A Q71U36 4/20 0.38
TUBA1C Q9BQE3 4/20 0.38
TUBB6 Q9BUF5 4/20 0.38
TUBB2B Q9BVA1 4/20 0.38

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
SCHEMBL9536290 0.84 GAA (0.41) SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL9537277 0.84 CNR1 (0.36) SMN1; SMN2GAAALDH1A1L3MBTL1CNR1
SCHEMBL9538789 0.80 ALDH1A1 (0.46) SMN1; SMN2GAAALDH1A1CYP19A1L3MBTL1
SCHEMBL9535895 0.71 CNR1 (0.41) SMN1; SMN2GAAALDH1A1CNR1CNR2
SCHEMBL11442618 0.69 HTR2A (0.43) GAAALDH1A1CYP19A1TUBB4ATUBB
SCHEMBL9538832 0.69 GAA (0.43) SMN1; SMN2GAAALDH1A1TSHRGPR55
SCHEMBL3788490 0.69 GAA (0.40) SMN1; SMN2GAAALDH1A1TSHRCNR1
SCHEMBL10132616 0.69 TUBB4A (0.48) GAAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9536285 0.68 SLC2A1 (0.38) GAAALDH1A1LMNAMAPT
SCHEMBL3038603 0.68 GAA (0.69) GAAALDH1A1CYP19A1TSHRGPR55

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed