SCHEMBL11547200

SCHEMBL11547200

Cc1cccc2[nH]c(C(=O)O)c(Oc3ccccc3N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 9/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RPA1 P27694 1/20 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
SCHEMBL11545105 0.81 L3MBTL1 (0.45) MCL1MAPTALDH1A1GAAHPGD
SCHEMBL11546524 0.80 KDM4E (0.48) MCL1KDM4EMAPTALDH1A1CRHBP
SCHEMBL8959611 0.78 MCL1 (0.43) MCL1KDM4EMAPTALDH1A1GAA
SCHEMBL29113502 0.74 PTGER1 (0.45) MCL1ALDH1A1GAAMEN1KMT2A
SCHEMBL11544037 0.72 LMNA (0.46) MCL1KDM4EMAPTMEN1KMT2A
SCHEMBL15516976 0.72 MCL1 (0.44) MCL1KDM4EMAPTALDH1A1GAA
SCHEMBL11546013 0.72 MCL1 (0.40) MCL1KDM4EMAPTALDH1A1CRHBP
SCHEMBL5407662 0.71 KDM4E (0.59) KDM4EMAPTALDH1A1CRHBPCRHR2
SCHEMBL7778483 0.70 ALDH1A1 (0.55) MCL1KDM4EMAPTALDH1A1GAA
SCHEMBL11547198 0.69 TUBB4A (0.49) KDM4EMAPTALDH1A1GAAMEN1

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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