SCHEMBL9326441

SCHEMBL9326441

CCCc1cc(-c2cc(CCC)c(N)c(CCC)c2)cc(CCC)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 2/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
GABRA1 P14867 5/20 0.35
GABRB2 P47870 5/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HMGCR P04035 1/20 0.34
IKBKB O14920 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL174991 0.83 TLR8 (0.43) ALDH1A1TP53CYP3A4TSHRTDP1
Methane SCHEMBL16027128 0.83 TLR8 (0.41) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL6131303 0.82 GABRA1 (0.37) ALDH1A1CYP3A4ALOX5HTTPOLB
SCHEMBL20788166 0.82 NOS2 (0.47) ALDH1A1TSHRHTTPOLBNOS3
SCHEMBL31614612 0.82 DHFR (0.35) ALDH1A1HTTPOLBGABRA1GABRB2
SCHEMBL1100124 0.80 DHFR (0.41) HTTPOLBNOS3NOS1NOS2
SCHEMBL20681193 0.80 HMGCR (0.41) TP53HTTPOLBGABRA1GABRB2
SCHEMBL5381343 0.78 HTT (0.34) ALDH1A1HTTPOLBNOS3NOS1
SCHEMBL3940715 0.78 HMGCR (0.35) ALDH1A1HTTPOLBNOS3NOS1
SCHEMBL2186186 0.78 HTT (0.54) ALDH1A1TP53CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407172-B1 Aromatic polyimide separation membrane MITSUBISHI CHEM IND (JP) 1994-02-23 EP disclosed
US-5112941-A A fluorinated membranes with high selectivity MITSUBISHI KASEI CORPORATION (JP) 1992-05-12 US disclosed
EP-0437611-A1 SEPARATIVE MEMBRANE MADE OF AROMATIC POLYIMIDE MITSUBISHI KASEI CORPORATION (JP) 1991-07-24 EP disclosed
EP-0407172-A1 Aromatic polyimide separation membrane MITSUBISHI KASEI CORPORATION (JP) 1991-01-09 EP disclosed