SCHEMBL28040264

SCHEMBL28040264

O=C(O)NNCc1cc(Cl)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
HPGD P15428 4/20 0.52
KMT2A Q03164 4/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 3/20 0.52
ALOX15 P16050 3/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
USP2 O75604 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
SLC22A1 O15245 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSPD1 P10809 1/20 0.52
HSPA5 P11021 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
BLM P54132 1/20 0.52
HSPE1 P61604 1/20 0.52

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
SCHEMBL248758 0.78 GAA (0.48) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL16795265 0.77 HPGD (0.52) MEN1HPGDKMT2AHIF1ACYP3A4
Acetic Acid SCHEMBL11588262 0.75 CA2 (0.56) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL1418003 0.75 HIF1A (0.59) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL5724270 0.75 SETDB1 (0.57) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL3185618 0.73 ERCC1 (0.54) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL5724332 0.73 ERCC1 (0.57) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL23915663 0.73 OXTR (0.61) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL13219436 0.73 MEN1 (0.61) MEN1HPGDKMT2AHIF1ACYP3A4
SCHEMBL12305651 0.73 MEN1 (0.67) MEN1HPGDKMT2AHIF1ACYP3A4

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-105008331-B Act on multiple prostaglandin receptors, produce the compound of general anti-inflammatory response 阿勒根公司 2018-02-16 CN disclosed
CN-105008331-A COMPOUNDS ACT AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC 2015-10-28 CN disclosed