SCHEMBL6537633

SCHEMBL6537633

C=Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)NCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
RAB9A P51151 7/20 0.46
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 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
SCHEMBL6537607 0.88 POLB (0.53) POLBRAB9AKMT2AHPGDALDH1A1
SCHEMBL6537631 0.87 POLB (0.53) POLBRAB9AKMT2AHPGDALDH1A1
SCHEMBL6538156 0.85 POLB (0.51) POLBRAB9AKMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL6537756 0.85 POLB (0.50) POLBRAB9AKMT2AHPGDALDH1A1
SCHEMBL6537837 0.83 CDK14 (0.42) KMT2AHPGDALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6537917 0.82 POLB (0.47) POLBRAB9AKMT2AHPGDALDH1A1
SCHEMBL6538205 0.81 JAK2 (0.39) KMT2AHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL6537534 0.80 JAK2 (0.41) KMT2AHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL6537967 0.80 JAK2 (0.41) KMT2AHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL6537923 0.79 JAK2 (0.40) KMT2AHPGDALDH1A1SMN1; SMN2HTT

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