SCHEMBL11548967

SCHEMBL11548967

COC(=O)c1c(Oc2ccccc2[N+](=O)[O-])c2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ EIF4H Q15056 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 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
SCHEMBL11545098 0.88 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EL3MBTL1MAPT
SCHEMBL11546010 0.81 ALDH1A1 (0.54) ALDH1A1HPGDPABPC1EIF4HKDM4E
SCHEMBL11545885 0.76 MAPT (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL11544030 0.76 LMNA (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL11545103 0.73 KMT2A (0.49) ALDH1A1KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL11548970 0.73 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL11548971 0.73 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL11544475 0.73 FAAH (0.45) ALDH1A1HPGDMAPTTDP1SMN1; SMN2
SCHEMBL1340341 0.72 L3MBTL1 (0.58) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL8076951 0.72 L3MBTL1 (0.62) ALDH1A1HPGDL3MBTL1TDP1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179513-A Indole-2-carboxylic acids to effect CNS depressant activity WARNER-LAMBERT COMPANY (US) 1979-12-18 — — US disclosed
US-4117129-A INDOLOBENZOXAZEPINES AS CNS DEPRESSANTS WARNER-LAMBERT COMPANY (US) 1978-09-26 — — US disclosed
US-4066660-A INTERMEDIATES IN THE PREPARATION OF INDOLOBENZOXAZEPINES WARNER-LAMBERT COMPANY (US) 1978-01-03 — — US disclosed
US-4013641-A INDOLOBENZOXAZEPINES XEROX CORPORATION (US) 1977-03-22 — — US disclosed
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