SCHEMBL28501579

SCHEMBL28501579

c1ccc2c(Cc3[nH]cc4ccccc34)[nH]cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ AHR P35869 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ PARP1 P09874 1/20 0.35
▸ HPRT1 P00492 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADRA2A P08913 3/20 0.34
▸ ADRA2B P18089 3/20 0.34
▸ ADRA2C P18825 3/20 0.34

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
SCHEMBL28691266 0.87 KMT2A (0.47) MEN1KMT2AALDH1A1METAP1
SCHEMBL13978037 0.82 METAP1 (0.36) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL13977730 0.82 METAP1 (0.36) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL3875462 0.82 GPR84 (0.36) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL292913 0.82 METAP1 (0.36) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL27696265 0.81 ALDH1A1 (0.37) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL13376478 0.79 HTR2A (0.47) CYP3A4MAPTHSD17B10ALDH1A1CYP2A6
SCHEMBL3430076 0.79 METAP1 (0.40) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL3028098 0.79 METAP1 (0.40) TDP1AHRMEN1KMT2ACYP3A4
SCHEMBL23421392 0.77 HTR2A (0.40) MEN1KMT2AMAPTGPR84METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111960987-B Synthesis method of methylene bis (isoindole) compound 温州大学 2022-02-11 — — CN claimed
CN-111960987-A Synthesis method of methylene bis (isoindole) compound 温州大学 2020-11-20 — — CN claimed
CN-111960987-B Synthesis method of methylene bis (isoindole) compound 温州大学 2022-02-11 — — CN disclosed
CN-111960987-B Synthesis method of methylene bis (isoindole) compound 温州大学 2022-02-11 — — CN disclosed
CN-111960987-B Synthesis method of methylene bis (isoindole) compound 温州大学 2022-02-11 — — CN disclosed
CN-111960987-A Synthesis method of methylene bis (isoindole) compound 温州大学 2020-11-20 — — CN disclosed
Send feedback