SCHEMBL5750330

SCHEMBL5750330

NCCCOc1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.61
▸ HTR1B P28222 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 9/20 0.40
▸ RXRA P19793 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ FGR P09769 1/20 0.39
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL7933560 0.82 KCNA3 (0.59) KCNA3KDM4ERAB9ATP53MAPK1
SCHEMBL28498709 0.81 KCNA3 (0.62) KCNA3MEN1KMT2AMAPTTTR
SCHEMBL5747505 0.80 KCNA3 (0.57) KCNA3HTR1BKDM4ETP53TDP1
SCHEMBL28851017 0.78 KCNA3 (0.58) KCNA3MEN1KMT2AMAPTTTR
SCHEMBL5749560 0.78 KCNA3 (0.55) KCNA3HTR1BKDM4ERAB9AMAPK1
SCHEMBL10936005 0.78 KCNA3 (0.62) KCNA3KDM4ERAB9AMAPK1TDP1
SCHEMBL5747876 0.78 KCNA3 (0.55) KCNA3HTR1BKDM4EALDH1A1TTR
SCHEMBL28986871 0.77 KCNA3 (0.70) KCNA3KDM4ERAB9AMAPK1TDP1
SCHEMBL28605135 0.77 KCNA3 (0.70) KCNA3KDM4ERAB9AMAPK1TDP1
SCHEMBL15859640 0.77 KCNA3 (0.70) KCNA3KDM4ERAB9AMAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 — — EP claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 — — WO claimed
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