SCHEMBL22002995

SCHEMBL22002995

c1ccc(N(c2ccc3c(c2)CC3)c2ccc3c(ccc4cc(N(c5ccccc5)c5ccc6c(c5)CC6)ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31

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
SCHEMBL11898477 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL14506990 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL17841771 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL14070404 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL13250561 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL14070363 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL14070341 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL18079830 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL14070295 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2TDP1
SCHEMBL22002877 0.85 SIGMAR1 (0.38) CYP1A2CYP2D6CYP2C19MEN1KMT2A

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
US-10654967-B2 Polymer compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-19 — — US disclosed
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