SCHEMBL8350583

SCHEMBL8350583

N=C(NCCCN1CCOCC1)c1ccc(-c2ccco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.46
HIF1A Q16665 1/20 0.46
CD274 Q9NZQ7 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.44
GLA P06280 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
SCHEMBL5312097 0.78 TAAR1 (0.46) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL27612097 0.76 ALDH1A1 (0.45) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL8351459 0.76 NAMPT (0.58) KMT2AALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL8346288 0.75 TAAR1 (0.45) KMT2AALDH1A1TDP1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL10925225 0.74 MEN1 (0.48) KMT2AALDH1A1KDM4EHPGDTSHR
SCHEMBL3069963 0.71 ALDH1A1 (0.80) KMT2AALDH1A1KDM4EPKMTSHR
SCHEMBL16373567 0.70 HTT (0.74) KMT2AALDH1A1TDP1L3MBTL1HPGD
SCHEMBL8150783 0.70 CD274 (0.85) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL10927054 0.70 KMT2A (0.57) KMT2AALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8345399 0.69 HDAC3 (0.41) KDM4EHPGDSMN1; SMN2KCNH2HRH3

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-5935776-A 2,5-BIS(4-(3-N,N,-DIMETHYLAMINOPROPYLAMIDINO)PHENYL)FURAN OR PHARMACEUTICALLY ACCEPTABLE SALT AND DILUENT OR CARRIER AS VIRICIDE TO SUPPRESS BINDING OF REV PROTEIN TO MESSENGER RNAS THUS SUPPRESSING REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1999-08-10 US claimed
US-5935776-A 2,5-BIS(4-(3-N,N,-DIMETHYLAMINOPROPYLAMIDINO)PHENYL)FURAN OR PHARMACEUTICALLY ACCEPTABLE SALT AND DILUENT OR CARRIER AS VIRICIDE TO SUPPRESS BINDING OF REV PROTEIN TO MESSENGER RNAS THUS SUPPRESSING REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1999-08-10 US disclosed