SCHEMBL7226445

SCHEMBL7226445

OC(COc1ccc2nncn2n1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
PARP14 Q460N5 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 4/20 0.46
ADRB2 P07550 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7235144 0.83 PARP14 (0.69) LMNAALDH1A1GAAPARP14L3MBTL1
SCHEMBL8157925 0.80 KMT2A (0.60) KMT2AMEN1LMNACYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL6621117 0.80 KMT2A (0.58) KMT2AMEN1LMNACYP2D6ALDH1A1
Fumaric Acid SCHEMBL7227141 0.79 PARP14 (0.65) KMT2AMEN1LMNAHTTPARP14
Fumaric Acid SCHEMBL7227144 0.79 PARP14 (0.65) KMT2AMEN1LMNAHTTPARP14
Fumaric Acid SCHEMBL7226160 0.78 PARP14 (0.56) LMNAALDH1A1GAAPARP14KCNH2
Fumaric Acid SCHEMBL7226163 0.78 PARP14 (0.56) LMNAALDH1A1GAAPARP14KCNH2
SCHEMBL11133461 0.71 KMT2A (0.72) KMT2AMEN1LMNACYP2D6ALDH1A1
SCHEMBL7227730 0.70 PARP14 (0.46) KMT2AMEN1TSHRPARP14
SCHEMBL15275436 0.70 KMT2A (0.83) KMT2AMEN1LMNACYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610694-B1 Suppressing histamine and/or eosinophil chemotaxis; treating allergic diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US disclosed
EP-1120418-A1 FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed