SCHEMBL7703360

SCHEMBL7703360

O=C(O)c1ccc(C=C(Cn2ccnc2)c2nccs2)cc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
TBXAS1 P24557 8/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NAMPT P43490 1/20 0.34
CYP19A1 P11511 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7242970 0.85 TBXAS1 (0.36) CYP11B1CYP11B2TBXAS1NAMPTCYP19A1
SCHEMBL7242964 0.85 TBXAS1 (0.36) CYP11B1CYP11B2TBXAS1NAMPTCYP19A1
SCHEMBL7241573 0.80 TBXAS1 (0.47) TBXAS1CYP19A1
SCHEMBL7241571 0.80 TBXAS1 (0.47) TBXAS1CYP19A1
SCHEMBL7241553 0.80 KDM4E (0.43) TBXAS1KDM4ENPC1LMNARAB9A
SCHEMBL7241558 0.80 KDM4E (0.43) TBXAS1KDM4ENPC1LMNARAB9A
SCHEMBL8199405 0.78 NTRK1 (0.36) KDM4EMEN1KMT2A
SCHEMBL7711906 0.75 KDM4E (0.38) KDM4ENPC1RAB9ANAMPTCYP19A1
SCHEMBL7247057 0.75 KDM4E (0.38) CYP11B1CYP11B2TBXAS1KDM4ENAMPT
SCHEMBL7247059 0.75 KDM4E (0.38) CYP11B1CYP11B2TBXAS1KDM4ENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed