SCHEMBL7801803

SCHEMBL7801803

CN(c1ccncc1)c1ccc2nc(COc3ccccc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.58
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
TP53 P04637 3/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 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
Hydrochloric Acid SCHEMBL8479342 0.99 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801801 0.91 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8479340 0.90 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810247 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810210 0.78 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7813799 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801873 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8475109 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL8403413 0.76 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8480233 0.76 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53TSHR

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
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP claimed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 US claimed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP claimed
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed