SCHEMBL9861529

SCHEMBL9861529

CCc1cc(Cc2cc(CC)c(NC)c(CC)c2)cc(CC)c1NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.34
DHFR P00374 2/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
BACE1 P56817 1/20 0.31
HSPA5 P11021 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PLK1 P53350 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AR P10275 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 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
SCHEMBL14509458 0.89 SHBG (0.33) SHBGDHFRBACE1HSPA5KMT2A
SCHEMBL5509475 0.81 SHBG (0.32) SHBGDHFRLMNAHPGD
SCHEMBL727390 0.78 ELANE (0.35) SHBGDHFRSCN5AGAA
SCHEMBL9861627 0.75 KCNH2 (0.33) KCNH2SCN5ALMNAHPGDSMN1; SMN2
SCHEMBL727589 0.74 ALDH1A1 (0.44) GAASMN1; SMN2
SCHEMBL13866793 0.73 CA5A (0.42) SCN5AKMT2AMEN1HPGDHTT
SCHEMBL12284735 0.73 GAA (0.50) SCN5AKMT2AMEN1GAALMNA
SCHEMBL25314219 0.72 HTT (0.42) HSPA5GAALMNAHPGDHTT
SCHEMBL4364941 0.72 DHFR (0.53) SHBGDHFRBACE1HSPA5KMT2A
SCHEMBL48459 0.72 HTT (0.50) SHBGDHFRBACE1HTT

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
US-5041668-A Polyurethane Chain Extenders, Hardeners for Epoxy Resins ETHYL CORPORATION (US) 1991-08-20 US claimed
US-5041668-A Polyurethane Chain Extenders, Hardeners for Epoxy Resins ETHYL CORPORATION (US) 1991-08-20 US disclosed