SCHEMBL11548971

SCHEMBL11548971

Cc1cccc2c1c(Oc1ccccc1[N+](=O)[O-])c(C(=O)O)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL11548970 1.00 L3MBTL1 (0.44) L3MBTL1TDP1ESR2ALDH1A1SMN1; SMN2
SCHEMBL11545098 0.84 ALDH1A1 (0.47) L3MBTL1TDP1ESR2ALDH1A1SMN1; SMN2
SCHEMBL11546013 0.81 MCL1 (0.40) ALDH1A1KDM4EPKMMAPTMCL1
SCHEMBL11545889 0.74 LMNA (0.41) TDP1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL11544478 0.74 LMNA (0.44) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL11544481 0.74 LMNA (0.44) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL11545105 0.74 L3MBTL1 (0.45) L3MBTL1TDP1ESR2ALDH1A1TSHR
SCHEMBL11548967 0.73 ALDH1A1 (0.47) L3MBTL1TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11544030 0.72 LMNA (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1PKM
SCHEMBL10422274 0.69 HSD17B10 (0.58) L3MBTL1TDP1ALDH1A1SMN1; SMN2TSHR

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 3 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
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