SCHEMBL29167992

SCHEMBL29167992

CCCCCCCCCCCCCCCCCC(C)N1C=NCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
LMNA P02545 2/20 0.31
SHMT2 P34897 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28721537 1.00 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10KDM2B
SCHEMBL10619688 1.00 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10KDM2B
SCHEMBL11256176 1.00 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10KDM2B
SCHEMBL10617463 1.00 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10KDM2B
SCHEMBL10618482 1.00 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10KDM2B
Ammonia Solution, Strong SCHEMBL11648943 0.98 SMN1; SMN2 (0.33) SMN1; SMN2PKMHTTHSD17B10KDM2B
Acetic Acid SCHEMBL7802094 0.90 LMNA (0.37) SMN1; SMN2LMNAALDH1A1CYP2C19
SCHEMBL8031338 0.81 GPR84 (0.34) HTTSPHK1LMNA
SCHEMBL8031471 0.81 GPR84 (0.34) HTTSPHK1LMNA
SCHEMBL28911641 0.81 OPRM1 (0.35) HTTOPRM1SPHK1LMNA

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-117684177-B Corrosion inhibitor 三一重型装备有限公司 2024-07-26 CN disclosed
CN-117684177-A Corrosion inhibitor 三一重型装备有限公司 2024-03-12 CN disclosed