Butanal

Butanal

SCHEMBL28107659

CCCC=O.Cc1ccc(NC(=N)NC(=N)N)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.40
KIF11 P52732 1/20 0.40
POLB P06746 1/20 0.39
PLAU P00749 2/20 0.38
HPN P05981 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
AURKA O14965 1/20 0.36
NTRK1 P04629 1/20 0.36
TGM2 P21980 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL650677 0.83 KIF11 (0.48) DDAH1KIF11POLBPLAUHPN
Hydrochloric Acid SCHEMBL11844402 0.82 KIF11 (0.47) DDAH1KIF11POLBTDP1TGM2
Hydrochloric Acid SCHEMBL21530444 0.82 KIF11 (0.47) DDAH1KIF11POLBTDP1TGM2
Ethylene SCHEMBL7172674 0.80 KIF11 (0.46) DDAH1KIF11POLBPLAUHPN
Thiourea SCHEMBL28158541 0.79 KIF11 (0.44) DDAH1KIF11POLBTDP1AURKA
SCHEMBL3068902 0.74 F2 (0.43) ALDH1A1MAPTNPC1RAB9A
Metformin SCHEMBL28092112 0.74 KIF11 (0.40) DDAH1KIF11POLBPLAUHPN
SCHEMBL3056662 0.73 TDP1 (0.52) KIF11POLBTDP1TGM2KDM4E
4-Chlorophenylbiguanide SCHEMBL3357690 0.71 LMNA (0.48) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL17777449 0.71 SMN1; SMN2 (0.53) POLBTDP1KDM4EALDH1A1MAPT

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
CN-106103571-A Composition for dip forming and dip-formed molding 日本瑞翁株式会社 2016-11-09 CN disclosed