SCHEMBL9187308

SCHEMBL9187308

O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.56
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ P2RX7 Q99572 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ APP P05067 2/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL5733269 0.80 CA1 (0.56) LMNAHDAC8ALDH1A1KDM4EKMT2A
SCHEMBL9183552 0.79 LMNA (0.66) LMNAALDH1A1KDM4EHTTKMT2A
SCHEMBL9184019 0.78 LMNA (0.47) LMNAALDH1A1KMT2AP2RX7TDP1
SCHEMBL9181681 0.78 ABCB1 (0.49) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9181903 0.77 HDAC8 (0.52) LMNAHDAC8HDAC3ALDH1A1HTT
SCHEMBL9180280 0.75 MEN1 (0.60) LMNAALDH1A1KMT2AP2RX7MAPT
SCHEMBL9181526 0.75 P2RX7 (0.61) P2RX7
SCHEMBL9181173 0.74 P2RX7 (0.57) ALDH1A1KMT2AP2RX7MEN1
SCHEMBL9183697 0.73 P2RX7 (0.59) ALDH1A1KMT2AP2RX7TDP1MEN1
SCHEMBL8537873 0.72 LMNA (0.60) LMNAALDH1A1KDM4EHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 — — US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 — — EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 — — US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 — — US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 — — EP disclosed
Send feedback