SCHEMBL14355332

SCHEMBL14355332

O=C1c2ccccc2C(=O)c2c(Nc3cc4c(=O)c5ccccc5[nH]c4c4c3C(=O)c3ccccc3C4=O)cccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.61
▸ CYP1A2 P05177 2/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ GNG2 P59768 1/20 0.46
▸ GNB1 P62873 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ABCB1 P08183 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PARP14 Q460N5 9/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 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
SCHEMBL14355333 0.89 PARP14 (0.54) MAOACYP1A2MAPK1TDP1MAPT
SCHEMBL14355331 0.85 MAOA (0.60) MAOACYP1A2GNG2GNB1TDP1
SCHEMBL14380237 0.83 MAOA (0.49) MAOACYP1A2MAPK1TDP1SMN1; SMN2
Carbazole SCHEMBL1898107 0.82 CYP1A2 (0.61) MAOACYP1A2MAPK1GNG2GNB1
SCHEMBL14355334 0.82 MAOA (0.47) MAOACYP1A2GNG2GNB1TDP1
SCHEMBL14088099 0.80 MAOA (0.55) MAOATDP1SMN1; SMN2ABCB1POLB
SCHEMBL14031020 0.79 PARP14 (0.58) MAOACYP1A2POLBPARP14PBRM1
SCHEMBL6825452 0.76 MAOA (1.00) MAOAMAPK1TDP1SMN1; SMN2MAPT
SCHEMBL13658590 0.76 KMT2A (0.50) MAOACYP1A2MAPK1TDP1MAPT
SCHEMBL11135578 0.76 MAOA (0.63) MAOAMAPK1TDP1SMN1; SMN2MAPT

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
US-20070271712-A1 Process for Dyeing Cellulosic Fibre Materials With at Least Two Vat Dyes HUNTSMAN INTERNATIONAL LLC 2007-11-29 — — US disclosed
US-20070271712-A1 Process for Dyeing Cellulosic Fibre Materials With at Least Two Vat Dyes HUNTSMAN INTERNATIONAL LLC 2007-11-29 — — US disclosed
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