SCHEMBL6590995

SCHEMBL6590995

O=C(O)c1ccc(N2CCN(c3ccccc3)CC2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
MEN1 O00255 3/20 0.63
SMO Q99835 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.50
OGA O60502 1/20 0.50
POLB P06746 4/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL7400408 0.88 KMT2A (0.58) KMT2ANPC1RAB9AMEN1SMO
SCHEMBL9211056 0.84 KMT2A (1.00) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL31352228 0.83 UBE2T (0.58) KMT2ANPC1RAB9ASMOALDH1A1
SCHEMBL19836997 0.83 UBE2T (0.58) KMT2ANPC1RAB9ASMOALDH1A1
SCHEMBL1989630 0.83 UBE2T (0.63) KMT2ANPC1RAB9ASMOALDH1A1
SCHEMBL29784322 0.83 UBE2T (0.63) KMT2ANPC1RAB9ASMOALDH1A1
SCHEMBL18923057 0.83 SMO (0.53) KMT2ANPC1RAB9AMEN1SMO
SCHEMBL2305342 0.83 RAB9A (0.59) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL63778 0.83 ALDH1A1 (0.73) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL1329870 0.83 RAB9A (0.58) KMT2ANPC1RAB9ASMOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed