SCHEMBL27815262

SCHEMBL27815262

O=C(O)CN=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ EPHX2 P34913 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL11144243 0.81 TAS2R38 (0.44) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL10779786 0.81 HSD17B10 (0.55) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL2694375 0.73 EPHX2 (0.57) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL27590292 0.72 TP53 (0.56) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL10035172 0.72 HPGD (0.46) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL17773397 0.72 ALDH1A1 (0.44) TP53MEN1KMT2AHSD17B10CYP1A2
Biphenyl SCHEMBL28335756 0.72 SMN1; SMN2 (0.61) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL16139552 0.71 EPHX2 (0.54) SMN1; SMN2EPHX2TP53EPHX1TSHR
Bromide SCHEMBL29489334 0.71 HDAC3 (0.43) SMN1; SMN2EPHX2TP53EPHX1TSHR
SCHEMBL175602 0.70 EPHX2 (0.63) SMN1; SMN2EPHX2TP53EPHX1TSHR

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-101874060-A Compound formula for producing products by using guayule natural rubber YULEX CORP 2010-10-27 — — CN claimed
CN-101874060-A Compound formula for producing products by using guayule natural rubber YULEX CORP 2010-10-27 — — CN disclosed
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