SCHEMBL11487535

SCHEMBL11487535

COc1c(C=O)c(C)nn1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
HTT P42858 2/20 0.61
MAPT P10636 4/20 0.56
MPO P05164 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C9 P11712 2/20 0.48
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL5928922 0.85 LMNA (0.70) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL9593922 0.82 LMNA (0.67) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL1779819 0.80 HTT (0.64) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL17320200 0.79 LMNA (0.48) LMNAHTTMAPTMPOSMN1; SMN2
SCHEMBL8883561 0.78 LMNA (0.60) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL8883850 0.78 LMNA (0.60) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL29956682 0.78 LMNA (0.60) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL1267498 0.78 SMN1; SMN2 (0.66) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL3835167 0.78 HTT (0.64) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL30001203 0.77 LMNA (0.53) LMNAHTTMAPTSMN1; SMN2CYP2C9

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
US-4226877-A ANTIPSYCHOTIC AGENTS, SCHIZOPHRENIA ABBOTT LABORATORIES (US) 1980-10-07 US disclosed