SCHEMBL366000

SCHEMBL366000

CCCOC(=O)c1c2ccccc2n2cc(C(=O)C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.47
LMNA P02545 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL365549 0.88 ALDH1A1 (0.47) ELANELMNAHTTALDH1A1TDP1
SCHEMBL367091 0.85 KMT2A (0.44) ELANELMNAHTTALDH1A1NR4A2
SCHEMBL365999 0.83 ALDH1A1 (0.48) ELANELMNAGABRPGABRDGABRA1
SCHEMBL365400 0.81 ELANE (0.47) ELANELMNAGABRPGABRDGABRA1
SCHEMBL366754 0.80 TSHR (0.45) ELANELMNAALDH1A1ESR1TSHR
SCHEMBL365912 0.80 CES1 (0.45) HTTALDH1A1
SCHEMBL365635 0.78 IDO1 (0.44) ELANELMNAHTTALDH1A1
SCHEMBL367044 0.78 ELANE (0.39) ELANELMNAGABRPGABRDGABRA1
SCHEMBL364770 0.76 ELANE (0.48) ELANELMNAALDH1A1F2PLAU
SCHEMBL366312 0.76 ALDH1A1 (0.52) LMNAALDH1A1TDP1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed