SCHEMBL11501575

SCHEMBL11501575

CN(C)CCN(C)CCN(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TAAR1 Q96RJ0 2/20 0.45
SIGMAR1 Q99720 2/20 0.42
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42

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
SCHEMBL4126571 0.93 TAAR1 (0.50) KMT2AMEN1TNNI3TNNT2TNNC1
SCHEMBL11044440 0.86 CA12 (0.50) KMT2AMEN1CA12CA2CA9
SCHEMBL21448012 0.80 HTR2A (0.50) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL23504663 0.77 CA12 (0.44) KMT2AMEN1CA12CA2CA9
SCHEMBL2467097 0.77 TDP1 (0.46) KMT2AMEN1CA12CA2CA9
SCHEMBL11145951 0.77 CA12 (0.47) KMT2AMEN1CA12CA2CA9
SCHEMBL13645984 0.77 SIGMAR1 (0.48) KMT2AMEN1CA12CA2CA9
SCHEMBL3052024 0.76 CA12 (0.40) KMT2AMEN1CA12CA2CA9
Hydrochloric Acid SCHEMBL28327279 0.76 TDP1 (0.43) KMT2AMEN1CA12CA2CA9
SCHEMBL17037834 0.75 SIGMAR1 (0.52) CA12CA2CA9TAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156603-A COMPLEXED WITH A POLYFUNCTIONAL LEWIS BASE EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-29 US disclosed
US-4152401-A Chelated lithium aluminum compounds EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-01 US disclosed
US-4147530-A Reductions of inorganic substrates with chelated sodium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1979-04-03 US disclosed
US-4094876-A OIL AND FUEL ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1978-06-13 US disclosed
US-4088666-A Reductions with chelated lithium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1978-05-09 US disclosed
US-3933879-A SEPARATIONS, CATALYTIC REACTIONS, REDUCTIONS, ELECTROCHEMISTRY EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-01-20 US disclosed