SCHEMBL28092602

SCHEMBL28092602

CCNCCN.N#CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
CA12 O43570 3/20 0.45
CA6 P23280 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA5A P35218 2/20 0.43
TP53 P04637 2/20 0.43

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
Water SCHEMBL27841850 0.89
SCHEMBL199119 0.86
SCHEMBL8624359 0.86 CA12 (0.60) CYP2C19MEN1KMT2AGLACA12
SCHEMBL11506371 0.83 CYP2C19 (0.40) CYP2C19MEN1KMT2AGLACA12
Iodide SCHEMBL7115075 0.83
Hydrochloric Acid SCHEMBL6266070 0.83
Hydrochloric Acid SCHEMBL6266059 0.83 KDM4E (0.59) CYP2C19MEN1KMT2AGLACA12
SCHEMBL11252750 0.83
SCHEMBL10874057 0.83 CA12 (0.62) CYP2C19MEN1KMT2AGLACA12
SCHEMBL11427378 0.83 CA12 (0.67) CYP2C19MEN1KMT2AGLACA12

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
CN-107457857-A A kind of method of thin plate Wood craft anticracking 阜南县大自然工艺品有限公司 2017-12-12 CN disclosed
CN-102951869-B Sand based composition and use thereof in packaging and sand based articles 北京仁创科技集团有限公司 2016-10-05 CN disclosed