SCHEMBL9181593

SCHEMBL9181593

COc1ccc(NCC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL9183170 0.85 KMT2A (0.57) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9181681 0.81 ABCB1 (0.49) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9185176 0.76 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9179435 0.75 KMT2A (0.57) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9185553 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9184095 0.73 MAPT (0.58) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL5760601 0.73 RECQL (0.45) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL8616198 0.71 CCR3 (0.53) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL8616272 0.71 KMT2A (0.64) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL8613565 0.71 ADRB2 (0.63) KMT2AMEN1ALDH1A1LMNAGAA

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