SCHEMBL9804050

SCHEMBL9804050

Cc1cc(CCCCCCCOc2nc3ccccc3[nH]2)on1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL6484123 0.82 LMNA (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9877558 0.78 NPC1 (0.56) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL10509681 0.77 DAGLA (0.46) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL10515147 0.77 DAGLA (0.64) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL11032320 0.76 MEN1 (0.51) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL28248398 0.76 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9804162 0.75 KMT2A (0.43) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL9803998 0.75 MEN1 (0.46) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL9804140 0.75 MAOA (0.45) KMT2AMEN1HTT
SCHEMBL9804051 0.74 HTT (0.47) KMT2AMEN1ALDH1A1NR1I2CYP3A4

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-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed