SCHEMBL10387888

SCHEMBL10387888

O=c1c2ccccc2ncn1CCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
KMT2A Q03164 3/20 0.74
MEN1 O00255 2/20 0.74
GAA P10253 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
ALDH1A1 P00352 1/20 0.74
HPGD P15428 1/20 0.74
MAPK1 P28482 2/20 0.67
LMNA P02545 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
RAB9A P51151 2/20 0.65
POLB P06746 3/20 0.63
NPC1 O15118 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL5935606 0.86 HTT (0.69) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL10387534 0.83 LMNA (0.70) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL10387958 0.82 SMN1; SMN2 (0.65) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL10349497 0.82 HTT (0.58) HTTSMN1; SMN2KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL10349671 0.81 HTT (0.57) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL10387980 0.79 MAPK1 (0.69) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL6957110 0.78 MAPK1 (0.62) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL17677816 0.78 GRK2 (0.64) HTTSMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL6956607 0.77 HTT (0.63) HTTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL6418277 0.77 LMNA (0.71) HTTSMN1; SMN2KMT2AMEN1GAA

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
US-4973691-A ANALGESICS Spojene Podniky Prozdravotnickou Vyrobu (SPOFA) (CS) 1990-11-27 US disclosed
US-4973691-A ANALGESICS Spojene Podniky Prozdravotnickou Vyrobu (SPOFA) (CS) 1990-11-27 US disclosed