SCHEMBL9525905

SCHEMBL9525905

O=C(OCCOc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
ALDH1A1 P00352 5/20 0.68
KMT2A Q03164 3/20 0.68
USP2 O75604 2/20 0.68
MEN1 O00255 2/20 0.68
POLB P06746 1/20 0.68
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
MCL1 Q07820 1/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47

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
SCHEMBL5135579 0.82 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AUSP2MEN1
SCHEMBL9525460 0.81 KDM4E (0.47) KDM4EALDH1A1KMT2AUSP2MEN1
SCHEMBL5060064 0.75 ALDH1A1 (0.63) KDM4EALDH1A1KMT2AUSP2MEN1
SCHEMBL10345257 0.75 PIM1 (0.56) KDM4EALDH1A1KMT2AUSP2MEN1
SCHEMBL7475308 0.75 ALDH1A1 (0.70) KDM4EALDH1A1POLBHSD17B10ALOX15
SCHEMBL317705 0.74 ADORA3 (0.57) KDM4EALDH1A1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL10345172 0.74 PIM1 (0.56) KDM4EALDH1A1KMT2AUSP2MEN1
SCHEMBL22122723 0.73 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL314343 0.73 MC4R (0.60) KDM4EALDH1A1KMT2ALMNAHTT
SCHEMBL9526456 0.73 HPGD (0.47) KDM4EALDH1A1KMT2AUSP2MEN1

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
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed