SCHEMBL9830889

SCHEMBL9830889

CCCN1C(=O)C(C)(C)Oc2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL1911340 0.86 REN (0.47) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL15337549 0.85 REN (0.53) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL13091047 0.84 ALDH1A1 (0.47) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL1911119 0.83 REN (0.45) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL89400 0.83 REN (0.62) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL14320708 0.81 PDE3B (0.51) RENALDH1A1MAPTRECQLCYP19A1
SCHEMBL9830281 0.79 ALDH1A1 (0.43) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL17434442 0.77 ATAD2 (0.44) RENALDH1A1MAPTRECQLCYP1A2
SCHEMBL8039164 0.77 ALDH1A1 (0.60) ALDH1A1MAPTRECQLCYP1A2CYP2C9
SCHEMBL16601598 0.76 ALDH1A1 (0.40) RENALDH1A1MAPTRECQLUSP2

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-0255601-B1 DIALKYLNALEINIMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 1991-09-11 EP disclosed
US-4729784-A 1-(1,4-benzoxazin-3-on-6-yl)-dialkylmaleimides and use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-08 US disclosed
EP-0255601-A2 Dialkylnaleinimides, process for their preparation and their use as herbicide NIHON BAYER AGROCHEM K.K. (JP) 1988-02-10 EP disclosed