SCHEMBL7808402

SCHEMBL7808402

c1ccc2cc(OCc3nc4cc(Sc5ccncc5)ccc4[nH]3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.62
NPC1 O15118 9/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
TP53 P04637 5/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 3/20 0.62
MEN1 O00255 2/20 0.62
MAPK1 P28482 2/20 0.62
HTT P42858 2/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL8477412 0.91 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7801871 0.90 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53KMT2A
Hydrochloric Acid SCHEMBL8480228 0.89 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7808665 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7807121 0.88 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7810915 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7810775 0.85 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7807186 0.85 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7808623 0.85 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53KMT2A
Hydrochloric Acid SCHEMBL8474120 0.84 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53KMT2A

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