SCHEMBL11546010

SCHEMBL11546010

COC(=O)c1c(Oc2ccccc2N)c2ccccc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ PABPC1 P11940 1/20 0.51
▸ EIF4H Q15056 1/20 0.51
▸ KMT2A Q03164 5/20 0.45
▸ PKM P14618 3/20 0.45
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ GABRA4 P48169 2/20 0.43
▸ GABRE P78334 2/20 0.43

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
SCHEMBL11547197 0.87 KMT2A (0.47) ALDH1A1HSD17B10HPGDKDM4EPABPC1
SCHEMBL11548967 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDKDM4EPABPC1
SCHEMBL12818486 0.78 KDM4E (0.65) ALDH1A1HSD17B10HPGDKDM4EPABPC1
SCHEMBL11544861 0.74 MAPT (0.47) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL11547919 0.73 CYP1A2 (0.47) ALDH1A1HPGDKDM4EKMT2APKM
SCHEMBL4208219 0.73 KDM4E (0.62) ALDH1A1HSD17B10HPGDKDM4EPABPC1
SCHEMBL24482887 0.72 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDKDM4EPABPC1
SCHEMBL11529865 0.70 KDM4E (1.00) ALDH1A1HSD17B10HPGDKDM4EPABPC1
SCHEMBL11545106 0.70 CCR2 (0.48) ALDH1A1KDM4EKMT2APKMGAA
SCHEMBL11547198 0.70 TUBB4A (0.49) ALDH1A1HSD17B10HPGDKDM4EKMT2A

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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