SCHEMBL7801915

SCHEMBL7801915

c1ccc(OCc2nc3ccc(Sc4cccnc4)cc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.57
NPC1 O15118 9/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.41
NR1I2 O75469 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK14 Q16539 1/20 0.41
GRIN1 Q05586 1/20 0.40

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
SCHEMBL7801911 0.91 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801873 0.87 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8480233 0.86 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810947 0.83 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7807124 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808670 0.81 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8477383 0.80 TDP1 (0.48) RAB9ANPC1SMN1; SMN2TSHRKMT2A
SCHEMBL7813676 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801871 0.78 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL8477412 0.78 RAB9A (0.62) 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 3 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 disclosed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 US disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed