SCHEMBL7905159

SCHEMBL7905159

c1cc2c(c(NNc3cccc4c3CCCC4)c1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.54
BAD Q92934 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL12101466 0.86 MEN1 (0.56) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL19112709 0.84 NISCH (0.49) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL3366873 0.83 ALDH1A1 (0.54) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL7262779 0.83 SIGMAR1 (0.53) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL7961751 0.81 SIGMAR1 (0.51) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL20866604 0.81 ALDH1A1 (0.53) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL20003589 0.81 ALDH1A1 (0.49) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL7964661 0.81 SIGMAR1 (0.51) BCL2L1BADALDH1A1HTTSMN1; SMN2
SCHEMBL9759587 0.80 ALDH1A1 (0.52) BCL2L1BADALDH1A1LMNAMEN1
SCHEMBL18906788 0.79 ALDH1A1 (0.51) BCL2L1BADALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed