SCHEMBL9509705

SCHEMBL9509705

C=C(C)C(=O)NN(C(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
RECQL P46063 1/20 0.53
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ABCB1 P08183 1/20 0.46

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
SCHEMBL8179825 0.84 POLB (0.71) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL8426425 0.83 POLB (0.75) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756061 0.82 SMN1; SMN2 (0.70) POLBCYP3A4SMN1; SMN2ABCB1
SCHEMBL9507427 0.81 POLB (0.71) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
Rh-5849 SCHEMBL1538531 0.80 POLB (1.00) POLBCYP3A4CYP2C9SMN1; SMN2ABCB1
SCHEMBL8179586 0.80 POLB (0.65) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9507296 0.79 POLB (0.73) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756244 0.78 POLB (0.67) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9825459 0.77 POLB (0.85) POLBCYP3A4CYP2C9SMN1; SMN2
SCHEMBL9825457 0.77 POLB (0.85) POLBCYP3A4CYP2C9SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361645-B1 ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE ROHM AND HAAS COMPANY (US) 1993-09-29 EP disclosed
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0361645-A2 Organic hydrazine derivatives for pharmaceutical use ROHM AND HAAS COMPANY (US) 1990-04-04 EP disclosed