SCHEMBL9184822

SCHEMBL9184822

CC(=O)OC(COc1cccc2ncccc12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.60
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ADRB2 P07550 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KCNH2 Q12809 2/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ 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
SCHEMBL9189012 0.88 ABCB1 (0.57) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9183346 0.85 ABCB1 (0.74) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9183004 0.82 ABCB1 (0.44) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9186320 0.82 ABCB1 (0.59) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9183180 0.81 ABCB1 (0.69) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9184024 0.81 ABCB1 (0.69) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9185474 0.81 ABCB1 (0.56) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9183197 0.80 ABCB1 (0.68) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL14347213 0.80 ABCB1 (0.73) ABCB1KMT2AALDH1A1LMNAUSP2
SCHEMBL9183973 0.80 ABCB1 (0.57) ABCB1KMT2ATSHRMAPTL3MBTL1

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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