SCHEMBL6537606

SCHEMBL6537606

O=C(Nc1cccc2cc(Br)cnc12)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.67
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.51
PLEC Q15149 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PABPC1 P11940 1/20 0.50
EIF4H Q15056 1/20 0.50
PTGES O14684 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL6537536 0.88 KDR (0.52) KDRMEN1KMT2AHPGDMAPT
SCHEMBL6537986 0.87 KDR (0.50) KDRMEN1KMT2AMAPTL3MBTL1
SCHEMBL6537757 0.86 KDR (0.58) KDRMEN1KMT2AHPGDMAPT
SCHEMBL6537944 0.85 RAB9A (0.56) KDRMEN1KMT2AMAPTPLEC
SCHEMBL6537959 0.85 RAB9A (0.56) KDRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6537751 0.82 RAB9A (0.69) MEN1KMT2AHPGDMAPTKDM4E
SCHEMBL6537870 0.82 SMN1; SMN2 (0.52) KDRMAPTL3MBTL1PTGESKDM4E
SCHEMBL6537919 0.82 CYP1A2 (0.55) MEN1KMT2ACYP1A2HPGDCYP2C19
SCHEMBL6538190 0.81 KDR (0.67) KDRMEN1KMT2AMAPTL3MBTL1
SCHEMBL29510019 0.81 KDR (1.00) KDRMEN1KMT2ACYP1A2HPGD

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-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