SCHEMBL28205030

SCHEMBL28205030

C=C(c1ccccc1)c1ccccc1.Cc1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.47
▸ ACHE P22303 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12802229 0.84 SMN1; SMN2 (0.53) ACHEPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL16396188 0.84 PBRM1 (0.59) PBRM1MEN1KMT2AGAARAB9A
Aniline SCHEMBL11007120 0.82 ACHE (0.60) PBRM1ACHESMN1; SMN2MEN1KMT2A
SCHEMBL16070950 0.82 ACHE (0.58) PBRM1ACHESMN1; SMN2MEN1KMT2A
Benzene SCHEMBL28200427 0.82 ACHE (0.67) ACHEMEN1KMT2AGAALMNA
Aniline SCHEMBL28205031 0.80 TSHR (0.58) PBRM1PARP1MEN1KMT2ARAB9A
SCHEMBL29350699 0.79 — —
SCHEMBL11789 0.79 — —
SCHEMBL11735289 0.79 ACHE (0.71) ACHEPARP1SMN1; SMN2MEN1KMT2A
Phenol SCHEMBL11775602 0.79 TDP1 (0.58) PBRM1ACHESMN1; SMN2MEN1KMT2A

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-107739347-A 3 methylaniline diphenyl ethylene derivatives and its production and use 贺州学院 2018-02-27 — — CN disclosed
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