SCHEMBL11545105

SCHEMBL11545105

Cc1cccc2[nH]c(C(=O)O)c(Oc3ccccc3[N+](=O)[O-])c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ESR2 Q92731 1/20 0.44
▸ FBP1 P09467 4/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL11544037 0.86 LMNA (0.46) L3MBTL1TDP1MCL1MAPT
SCHEMBL11547200 0.81 MCL1 (0.43) L3MBTL1TSHRALDH1A1MCL1GAA
SCHEMBL8959611 0.75 MCL1 (0.43) L3MBTL1TSHRALDH1A1MCL1GAA
SCHEMBL11548971 0.74 L3MBTL1 (0.44) L3MBTL1TDP1ESR2TSHRALDH1A1
SCHEMBL11548970 0.74 L3MBTL1 (0.44) L3MBTL1TDP1ESR2TSHRALDH1A1
SCHEMBL11545103 0.72 KMT2A (0.49) L3MBTL1TDP1ALDH1A1GAAHSD17B10
SCHEMBL29113502 0.71 PTGER1 (0.45) L3MBTL1TSHRALDH1A1MCL1GAA
SCHEMBL10422274 0.70 HSD17B10 (0.58) L3MBTL1TDP1TSHRALDH1A1HPGD
SCHEMBL6009063 0.70 TSHR (0.55) L3MBTL1TDP1TSHRALDH1A1MGAM
SCHEMBL8973495 0.70 L3MBTL1 (0.69) L3MBTL1TDP1ESR2TSHRALDH1A1

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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