SCHEMBL7549050

SCHEMBL7549050

O=C(C1=C[N]CC1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GNE Q9Y223 1/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 2/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL21650204 0.71 HPGD (0.58) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL13604500 0.65 VNN1 (0.63) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL7132525 0.65 HPGD (1.00) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL1826062 0.65 HPGD (0.54) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL29944134 0.64 ALDH1A1 (0.67) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL1569994 0.64 ALDH1A1 (0.67) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL28684147 0.64 HPGD (0.52) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL20663286 0.63 HPGD (0.43) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL969811 0.63 HPGD (0.52) HPGDALDH1A1TSHRNPC1GLA
SCHEMBL6641990 0.63 VNN1 (0.60) HPGDALDH1A1USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP claimed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO claimed