SCHEMBL11547197

SCHEMBL11547197

Cn1c(C(=O)O)c(Oc2ccccc2N)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ EGFR P00533 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ EIF4H Q15056 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 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
SCHEMBL11546010 0.87 ALDH1A1 (0.54) KMT2APKMEGFRALDH1A1L3MBTL1
SCHEMBL11547919 0.85 CYP1A2 (0.47) KMT2APKMMCL1EGFRALDH1A1
SCHEMBL11546013 0.82 MCL1 (0.40) KMT2APKMMCL1EGFRALDH1A1
SCHEMBL11545098 0.80 ALDH1A1 (0.47) KMT2APKMMCL1ALDH1A1L3MBTL1
SCHEMBL10412134 0.78 KMT2A (0.55) KMT2APKMMCL1EGFRALDH1A1
SCHEMBL2662567 0.75 EGFR (0.54) KMT2APKMMCL1EGFRALDH1A1
SCHEMBL11544030 0.72 LMNA (0.45) KMT2APKMMCL1ALDH1A1NPSR1
SCHEMBL752325 0.71 KDM1A (0.51) KMT2APKMEGFRALDH1A1L3MBTL1
SCHEMBL11544861 0.71 MAPT (0.47) KMT2APKMALDH1A1L3MBTL1GAA
SCHEMBL30639179 0.70 KDM4E (0.67) KMT2APKMMCL1EGFRALDH1A1

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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