SCHEMBL9788883

SCHEMBL9788883

C=CCc1ccc(C)c(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CD44 P16070 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7751350 0.82 GABRA1 (0.46) GABRA1GABRB2GAAMAPTMEN1
SCHEMBL20169512 0.77 GAA (0.34) GAAALDH1A1
SCHEMBL2555304 0.75 ALDH1A1 (0.48) POLBGABRA1GABRB2GAAMAPT
SCHEMBL11759870 0.74 GABRA1 (0.36) POLBGABRA1GABRB2GAAMEN1
SCHEMBL7101043 0.73 POLB (0.42) POLBGAAMAPTMEN1KMT2A
SCHEMBL167075 0.73 GABRA1 (0.54) POLBGABRA1GABRB2GAAMAPT
SCHEMBL11812251 0.71 CYP3A4 (0.36) POLBGABRA1GABRB2GAAMAPT
SCHEMBL9261804 0.71 IMPDH2 (0.45) POLBGABRA1GABRB2
SCHEMBL23854314 0.71 GABRA1 (0.52) POLBGABRA1GABRB2GAAMAPT
SCHEMBL14211944 0.71 GABRA1 (0.34) POLBGABRA1GABRB2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330095-A1 Automated preparative gas chromatograph AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-08-30 EP claimed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP claimed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP claimed
US-5034193-A Automated preparative gas chromatograph AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-07-23 US disclosed
US-5006315-A Preventing condensation of low-volatile effluents-alternately supplying solvent; backpressure means AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-04-09 US disclosed
EP-0330095-A1 Automated preparative gas chromatograph AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-08-30 EP disclosed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP disclosed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP disclosed