SCHEMBL27415328

SCHEMBL27415328

CC1CNCCN1.CC1CNCCN1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.36
FUCA1 P04066 4/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FUCA2 Q9BTY2 1/20 0.32
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16559 1.00
SCHEMBL16558 1.00
SCHEMBL17120 1.00
SCHEMBL9172235 0.97 HIF1A (0.38) ALPLFUCA1CYP2C9TSHRCYP2C19
Piperazine SCHEMBL7612531 0.97 HIF1A (0.38) ALPLFUCA1CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL483495 0.97
SCHEMBL8200112 0.97 HIF1A (0.38) ALPLFUCA1CYP2C9TSHRCYP2C19
Ethane SCHEMBL1785139 0.97
SCHEMBL17344128 0.97 HIF1A (0.38) ALPLFUCA1CYP2C9TSHRCYP2C19
SCHEMBL8200668 0.97 HIF1A (0.38) ALPLFUCA1CYP2C9TSHRCYP2C19

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-1116277-C Process for preparing carbocyclic or heterocyclic nitriles by vapor phase ammoxidation MITSUBISHI RAYON CO (JP) 2003-07-30 CN disclosed
CN-1188104-A Process for preparing carbocyclic or heterocyclic nitriles by vapor phase ammoxidation NITTO CHEMICAL INDUSTRY CO LTD (JP) 1998-07-22 CN disclosed