SCHEMBL6537745

SCHEMBL6537745

CN(C)c1c(C#N)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
TYK2 P29597 5/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
PTGES O14684 1/20 0.39
GHSR Q92847 1/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36
MCL1 Q07820 1/20 0.36
KDR P35968 1/20 0.36
IMPDH2 P12268 1/20 0.36

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
SCHEMBL6537599 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6537383 0.85 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6536826 0.83 HAVCR2 (0.45) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6537414 0.82 PTGES (0.41) MEN1KMT2APOLBTYK2JAK2
Hydrochloric Acid SCHEMBL6538432 0.82 TYK2 (0.41) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6537980 0.82 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6537615 0.81 GAA (0.43) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6537790 0.81 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6537538 0.81 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6538059 0.80 LCK (0.47) HTTLMNATP53KDM4EALDH1A1

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-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed