SCHEMBL4037433

SCHEMBL4037433

O=C(NC1CCCCC1)[C@@H](C1CCCCC1)C1(c2ccc(Cl)s2)Nc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 3/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.36
EPHX1 P07099 1/20 0.36
METAP2 P50579 2/20 0.36
METAP1 P53582 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4040574 1.00 KMT2A (0.41) KMT2ARAB9AMEN1HTTSMN1; SMN2
SCHEMBL4038539 0.89 RAB9A (0.41) KMT2ARAB9AMEN1HTTSMN1; SMN2
SCHEMBL4037758 0.86 CYP3A4 (0.41) KMT2ARAB9AMEN1HTTSMN1; SMN2
SCHEMBL4034314 0.85 NR1H4 (0.41) KMT2ARAB9AMEN1SMN1; SMN2GAA
SCHEMBL4037381 0.85 NR1H4 (0.41) KMT2ARAB9AMEN1SMN1; SMN2GAA
SCHEMBL4035080 0.85 NR1H4 (0.41) KMT2ARAB9AMEN1SMN1; SMN2GAA
SCHEMBL4038368 0.85 CHEK1 (0.41) KMT2AMEN1HTTSMN1; SMN2GAA
SCHEMBL4044322 0.84 NR1H4 (0.41) KMT2ARAB9AMEN1SMN1; SMN2GAA
SCHEMBL4042732 0.82 NR1H4 (0.44) KMT2ARAB9AMEN1HTTSMN1; SMN2
SCHEMBL4039101 0.82 NR1H4 (0.44) KMT2ARAB9AMEN1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP claimed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed