SCHEMBL9183170

SCHEMBL9183170

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
LMNA P02545 8/20 0.57
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 4/20 0.57
TP53 P04637 3/20 0.57
TSHR P16473 3/20 0.57
USP2 O75604 2/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
THRB P10828 1/20 0.57
MAPT P10636 7/20 0.53
KDM4E B2RXH2 4/20 0.53
KCNH2 Q12809 4/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
HIF1A Q16665 2/20 0.53
CYP2D6 P10635 2/20 0.53
NR1I2 O75469 1/20 0.53
NR3C1 P04150 1/20 0.53

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
SCHEMBL9179435 0.90 KMT2A (0.57) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9185553 0.90 KMT2A (0.60) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9184095 0.88 MAPT (0.58) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9181593 0.85 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9185176 0.84 KMT2A (0.55) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9180887 0.84 L3MBTL1 (0.56) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9183346 0.82 ABCB1 (0.74) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9180931 0.82 KMT2A (0.57) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9186776 0.81 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1ALOX15
SCHEMBL9181745 0.80 ABCB1 (0.64) KMT2AMEN1LMNAALDH1A1ALOX15

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