SCHEMBL11546013

SCHEMBL11546013

Cc1cccc2c1c(Oc1ccccc1N)c(C(=O)O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.40
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ MARK3 P27448 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ CAMK2B Q13554 3/20 0.36
▸ MARK2 Q7KZI7 3/20 0.36
▸ MINK1 Q8N4C8 3/20 0.36
▸ SRPK1 Q96SB4 3/20 0.36
▸ HIPK2 Q9H2X6 3/20 0.36
▸ CDC7 O00311 2/20 0.36
▸ IRAK1 P51617 2/20 0.36
▸ NEK4 P51957 2/20 0.36
▸ MAP4K2 Q12851 2/20 0.36
▸ CDC42BPA Q5VT25 2/20 0.36
▸ TAOK1 Q7L7X3 2/20 0.36
▸ HIPK4 Q8NE63 2/20 0.36
▸ MAP3K20 Q9NYL2 2/20 0.36

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 0.82 KMT2A (0.47) MCL1MAPTKDM4ECRHBPCRHR2
SCHEMBL11548970 0.81 L3MBTL1 (0.44) MCL1MAPTKDM4EALDH1A1KMT2A
SCHEMBL11548971 0.81 L3MBTL1 (0.44) MCL1MAPTKDM4EALDH1A1KMT2A
SCHEMBL11545108 0.72 CCR2 (0.42) MCL1MAPTKDM4EALDH1A1KMT2A
SCHEMBL11544865 0.72 CYP1A2 (0.40) MCL1MAPTKDM4EALDH1A1GAA
SCHEMBL11547200 0.72 MCL1 (0.43) MCL1MAPTKDM4ECRHBPCRHR2
SCHEMBL5799161 0.71 EGFR (0.41) MCL1MAPTKDM4EALDH1A1KMT2A
SCHEMBL5407662 0.70 KDM4E (0.59) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL11546010 0.70 ALDH1A1 (0.54) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL11547919 0.69 CYP1A2 (0.47) MCL1MAPTKDM4EALDH1A1GAA

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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