SCHEMBL10079262

SCHEMBL10079262

NCc1cc(Cl)cc(CN[C@H]2CC[C@H](CN)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PRKCQ Q04759 1/20 0.38
CXCR4 P61073 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KDM1A O60341 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BTK Q06187 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PNMT P11086 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
SCHEMBL10079264 0.82 POLB (0.41) POLBCXCR4ALDH1A1TSHRKDM1A
SCHEMBL10079261 0.82 PRKCQ (0.43) PRKCQCXCR4MEN1KMT2ARAB9A
SCHEMBL4920325 0.72 GRIN2B (0.59) KDM1ACARM1PRMT6MEN1KMT2A
SCHEMBL1518347 0.72 POLB (0.46) POLBALDH1A1TSHRKDM1ACARM1
SCHEMBL4920332 0.72 GRIN2B (0.59) KDM1ACARM1PRMT6MEN1KMT2A
SCHEMBL26268982 0.72 POLB (0.62) POLBCXCR4ALDH1A1TSHRKDM1A
SCHEMBL10080416 0.72 PRMT5 (0.40) PRKCQCXCR4ALDH1A1MEN1KMT2A
SCHEMBL10079265 0.71 PRMT5 (0.35) PRKCQCXCR4MEN1KMT2ARAB9A
SCHEMBL10079673 0.71 CXCR4 (0.51) CXCR4ALDH1A1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL31567098 0.70 POLB (0.66) POLBCXCR4ALDH1A1TSHRKDM1A

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
WO-2012020220-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed