SCHEMBL28078783

SCHEMBL28078783

Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)c(C3C4CC5CC(C4)CC3C5)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 2/20 0.40
MAOA P21397 2/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
TEAD4 Q15561 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL28078641 0.80 CYP19A1 (0.42) ALDH1A1MAOBNPC1RAB9AHPGD
SCHEMBL16047327 0.72 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19798400 0.71 KDM1A (0.56) KMT2AGAATSHRMAOANCOA1
SCHEMBL29535209 0.70 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28718997 0.70 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7907957 0.68 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2708160 0.68 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2048299 0.66 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29510593 0.66 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1810759 0.66 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; 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-104004187-B Polyimide having side chain group and method for producing same 欣兴电子股份有限公司 2016-06-08 CN disclosed