SCHEMBL9387888

SCHEMBL9387888

O=[N+]([O-])c1cccnc1NCc1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
NPC1 O15118 3/20 0.55
MIF P14174 1/20 0.54
MAPT P10636 6/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
RECQL P46063 2/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.47
WNK1 Q9H4A3 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9685901 0.81 PKM (0.57) PKMNPC1MAPTRAB9AMEN1
SCHEMBL9543716 0.79 PKM (0.58) PKMNPC1MAPTRAB9AMEN1
SCHEMBL8560755 0.78 PKM (0.57) PKMNPC1MAPTRAB9AMEN1
SCHEMBL9698164 0.77 MAPT (0.63) PKMMIFMAPTMEN1KMT2A
SCHEMBL31631301 0.77 NPC1 (0.74) PKMNPC1MAPTRAB9AMEN1
SCHEMBL1738419 0.77 NPC1 (0.74) PKMNPC1MAPTRAB9AMEN1
SCHEMBL9538090 0.77 TXNRD1 (0.60) PKMNPC1MIFMAPTRAB9A
SCHEMBL8134885 0.76 PKM (0.61) PKMNPC1MAPTRAB9AMEN1
SCHEMBL9630531 0.76 PKM (1.00) PKMNPC1MAPTRAB9AMEN1
SCHEMBL9634943 0.76 PKM (0.57) PKMNPC1MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1031403-C Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1996-03-27 CN disclosed
EP-0393738-B1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-11-30 EP disclosed
US-5272150-A Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-21 US disclosed
EP-0393738-A1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-24 EP disclosed
CN-1046161-A HYDROXYALKYLFURANYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1990-10-17 CN disclosed