SCHEMBL28019643

SCHEMBL28019643

O=C(NCc1ccccc1)OC1CCCCC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.49
HPGD P15428 2/20 0.49
EPHX1 P07099 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
KCNA3 P22001 1/20 0.45
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL27652150 0.78 HDAC3 (0.60) BCHEHPGDEPHX1RAB9ANPC1
SCHEMBL27630590 0.76 HDAC3 (0.62) BCHEHPGDEPHX1RAB9ANPC1
SCHEMBL28019641 0.76 BCHE (0.48) BCHEHPGDEPHX1RAB9ANPC1
SCHEMBL27742584 0.75 F2 (0.63) BCHEHPGDEPHX1RAB9ANPC1
SCHEMBL26331482 0.75 CYP1A2 (0.49) ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL27810920 0.74 BCHE (0.61) BCHEHPGDEPHX1RAB9ANPC1
SCHEMBL28019638 0.74 BCHE (0.55) BCHEHPGDKCNA3KMT2A
SCHEMBL19641338 0.73 BCHE (0.48) BCHEHPGDEPHX1ALDH1A1USP2
SCHEMBL562869 0.73 KCNA3 (0.56) BCHEHPGDEPHX1ALDH1A1USP2
SCHEMBL27721872 0.73 BCHE (0.61) BCHEHPGDEPHX1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104640856-A Carbazole-containing sulfonamides as cryptochrome modulators RESET THERAPEUTICS INC 2015-05-20 CN disclosed