SCHEMBL11047508

SCHEMBL11047508

Oc1cnc(Sc2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.42
HPGD P15428 4/20 0.41
HTT P42858 1/20 0.41
SIRT1 Q96EB6 1/20 0.37
NR1H2 P55055 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GLA P06280 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 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
SCHEMBL10976051 0.78 CHRNA7 (0.42) CXCL12HPGDHTTMEN1KMT2A
SCHEMBL10975099 0.78 HPGD (0.41) CXCL12HPGDHTTSIRT1MEN1
SCHEMBL10978019 0.78 HPGD (0.41) CXCL12HPGDHTTSIRT1MEN1
SCHEMBL2129184 0.77 HSD17B10 (0.46) CXCL12HPGDHTTSIRT1ALDH1A1
SCHEMBL5888020 0.73 CXCL12 (0.40) CXCL12HPGDHTTSIRT1ALDH1A1
SCHEMBL5609334 0.71 CXCL12 (0.39) CXCL12HPGDHTTSIRT1ALDH1A1
SCHEMBL11401729 0.71 NR1H2 (0.50) HPGDNR1H2MEN1KMT2AALDH1A1
Diphenylsulfane SCHEMBL27847104 0.71 CA12 (0.65) HPGDSIRT1NR1H2MEN1KMT2A
Diphenylsulfane SCHEMBL11742482 0.71 CA12 (0.65) HPGDSIRT1NR1H2MEN1KMT2A
Diphenylsulfane SCHEMBL11499754 0.69 NR1H2 (0.78) HPGDNR1H2MEN1KMT2AALDH1A1

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-4486422-A SYSTEMIC THE DOW CHEMICAL COMPANY (US) 1984-12-04 US disclosed