SCHEMBL28193370

SCHEMBL28193370

Cc1cnc(C)cn1.O=C1CC(Cl)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.46
DDB1 Q16531 4/20 0.46
MAP3K14 Q99558 1/20 0.36
NPC1 O15118 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 2/20 0.31
BRD4 O60885 3/20 0.31
CREBBP Q92793 3/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL23731 0.82
Ammonia Solution, Strong SCHEMBL27516621 0.80
Methylsulfanylmethane SCHEMBL5796241 0.78 MAP3K14 (0.43) CRBNDDB1MAP3K14NPC1CYP19A1
Chloroform SCHEMBL28126218 0.76 MAP3K14 (0.44) CRBNMAP3K14CYP19A1LMNAMAPT
SCHEMBL17043255 0.71 CYP19A1 (0.32) CYP19A1
Succinchlorimide SCHEMBL4989226 0.68 MAP3K14 (0.38) CRBNDDB1MAP3K14CYP19A1
SCHEMBL28232946 0.68 CYP3A4 (0.41) CRBNDDB1MAP3K14CYP19A1LMNA
SCHEMBL28194398 0.67 MAP3K14 (0.36) CRBNDDB1MAP3K14LMNATSHR
SCHEMBL82304 0.64
SCHEMBL21965809 0.64 DDB1 (1.00) CRBNDDB1

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-106434434-B One plant of strains A rthrobacter woluwensis for producing dimethylbenzene monooxygenase and its application 迪沙药业集团有限公司 2017-12-22 CN disclosed