SCHEMBL11368576

SCHEMBL11368576

Nc1nc2cc(SSc3cc4nc(N)[nH]c4cc3Br)c(Br)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.50
PLAU P00749 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
BACE1 P56817 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MASP2 O00187 1/20 0.40
MEN1 O00255 1/20 0.40
NUDT1 P36639 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
TYMS P04818 8/20 0.37
ABL1 P00519 1/20 0.36
IDO1 P14902 1/20 0.35
MMP12 P39900 2/20 0.34
AMY1A P0DUB6 1/20 0.34

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
SCHEMBL11368580 0.93 FABP6 (0.50) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL23295593 0.83 FABP6 (0.59) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11373844 0.79 FABP6 (0.50) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11369322 0.79 HTR3E (0.51) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11367405 0.79 FABP6 (0.70) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL14247949 0.76 FABP6 (0.72) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11369327 0.75 HTR3E (0.51) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11367412 0.75 FABP6 (0.70) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11373862 0.75 FABP6 (0.50) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11363828 0.75 CACNA1H (0.46) FABP6PLAUHTR3EHTR3BHTR3A

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
US-4259344-A FUNGICIDES, ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1981-03-31 US disclosed