SCHEMBL28054535

SCHEMBL28054535

CN(C)CC[CH]c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.42
TAAR1 Q96RJ0 2/20 0.40
RAD52 P43351 2/20 0.39
ACKR3 P25106 1/20 0.38
HTR2B P41595 1/20 0.36
FLT3 P36888 2/20 0.36
MPO P05164 2/20 0.36
RIPK1 Q13546 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL28054538 0.78 TAAR1 (0.48) NFE2L2TAAR1HTR2BSLC6A4
SCHEMBL10677990 0.73 TAAR1 (0.50) NFE2L2TAAR1FLT3
SCHEMBL23457281 0.72 NFE2L2 (0.50) NFE2L2
SCHEMBL28054812 0.71 TAAR1 (0.42) NFE2L2TAAR1HTR2BSLC6A4
SCHEMBL16957441 0.70 NFE2L2 (0.47) NFE2L2
SCHEMBL28054555 0.69 TAAR1 (0.36) TAAR1RAD52HTR2BMPOSLC6A4
SCHEMBL16951470 0.68 NFE2L2 (0.46) NFE2L2RIPK1
SCHEMBL16955968 0.68 NFE2L2 (0.46) NFE2L2
SCHEMBL16958585 0.68 NFE2L2 (0.42) NFE2L2RIPK1
SCHEMBL16954210 0.68 NFE2L2 (0.42) NFE2L2

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-105330595-A Pyridine derivative and application thereof to mycobacterium resistance NANJING MINGDE DRUG R & D CO LTD 2016-02-17 CN disclosed