SCHEMBL7807124

SCHEMBL7807124

c1ccc(-c2ccc(OCc3nc4ccc(Sc5ccncc5)cc4[nH]3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AAK1 Q2M2I8 2/20 0.43
PRMT5 O14744 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PTGES O14684 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7801873 0.93 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8480233 0.92 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7807121 0.91 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808670 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL8477412 0.88 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7807192 0.87 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810782 0.87 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808627 0.87 MAOB (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8474123 0.86 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801871 0.84 RAB9A (0.58) 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