SCHEMBL7235144

SCHEMBL7235144

c1ccc(C(c2ccccc2)N2CCN(CCCOc3ccc4nncn4n3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.69
ALOX5 P09917 7/20 0.50
P2RX7 Q99572 5/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 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
Fumaric Acid SCHEMBL7226163 0.89 PARP14 (0.56) PARP14ALOX5P2RX7ALDH1A1L3MBTL1
Fumaric Acid SCHEMBL7226160 0.89 PARP14 (0.56) PARP14ALOX5P2RX7ALDH1A1L3MBTL1
SCHEMBL7226445 0.83 KMT2A (0.58) PARP14ALDH1A1L3MBTL1LMNAGAA
SCHEMBL6619343 0.81 ALDH1A1 (0.52) PARP14ALOX5P2RX7ALDH1A1L3MBTL1
SCHEMBL7227730 0.80 PARP14 (0.46) PARP14P2RX7
Hydrochloric Acid SCHEMBL7004707 0.79 ALOX5 (0.53) PARP14ALOX5P2RX7ALDH1A1L3MBTL1
SCHEMBL7234890 0.78 PARP14 (0.68) PARP14P2RX7MAPK1
SCHEMBL6633296 0.78 PARP14 (0.93) PARP14LMNAMAPK1
SCHEMBL7233408 0.76 PARP14 (0.91) PARP14LMNAMAPK1
Fumaric Acid SCHEMBL7225810 0.76 PARP14 (0.86) PARP14LMNA

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