SCHEMBL24417371

SCHEMBL24417371

O=[N+]([O-])c1ccccc1-c1cccc2c1oc1c(-c3ccccc3)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ F2 P00734 1/20 0.48
▸ C1R P00736 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ KLK3 P07288 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ GUSB P08236 1/20 0.42
▸ MYC P01106 1/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ S100A4 P26447 2/20 0.41

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
SCHEMBL16484950 0.92 ALDH1A1 (0.55) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL29506802 0.83 ALDH1A1 (0.57) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL782755 0.83 ALDH1A1 (0.57) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL16482196 0.83 ALDH1A1 (0.48) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL24417270 0.82 ALDH1A1 (0.48) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL17035141 0.80 ALDH1A1 (0.75) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL430105 0.80 PRKDC (0.46) ALDH1A1LMNA
SCHEMBL11713826 0.80 PRKDC (0.47) ALDH1A1LMNA
SCHEMBL31295744 0.79 ALDH1A1 (0.71) ALDH1A1TDP1MEN1KMT2AF2
SCHEMBL15712753 0.79 ALDH1A1 (0.71) ALDH1A1TDP1MEN1KMT2AF2

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-20220149289-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2022-05-12 — — US disclosed
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