SCHEMBL9184019

SCHEMBL9184019

CN(C(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ P2RX7 Q99572 4/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNB1 Q02641 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ OPRD1 P41143 3/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9180057 0.78 KMT2A (0.49) LMNAP2RX7MEN1KMT2AALDH1A1
SCHEMBL9187308 0.78 LMNA (0.56) LMNAP2RX7MEN1KMT2AALDH1A1
SCHEMBL9188114 0.77 ABCB1 (0.49) LMNAP2RX7MEN1KMT2AALDH1A1
SCHEMBL10362381 0.75 LMNA (0.56) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL9183004 0.74 ABCB1 (0.44) LMNAP2RX7MEN1KMT2AALDH1A1
SCHEMBL9181526 0.73 P2RX7 (0.61) P2RX7
SCHEMBL9180280 0.73 MEN1 (0.60) LMNAP2RX7MEN1KMT2AALDH1A1
SCHEMBL10362072 0.73 LMNA (0.54) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL9181173 0.72 P2RX7 (0.57) P2RX7MEN1KMT2AALDH1A1HRH3
SCHEMBL9183697 0.72 P2RX7 (0.59) P2RX7MEN1KMT2AALDH1A1TDP1

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
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