SCHEMBL9450994

SCHEMBL9450994

NCCC(N)(COCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
ARG1 P05089 3/20 0.43
ARG2 P78540 2/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SLC1A1 P43005 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL10361435 0.85 ARG1 (0.41) ARG1ARG2TSHRSMN1; SMN2HIF1A
SCHEMBL26696026 0.79 KDM4E (0.50) KDM4EPOLBTSHRSMN1; SMN2HIF1A
SCHEMBL7653153 0.78 ARG1 (0.62) ARG1ARG2TSHRSMN1; SMN2HIF1A
SCHEMBL17667387 0.76 KDM4E (0.57) KDM4EPOLBTSHRSMN1; SMN2HIF1A
SCHEMBL17667388 0.76 KDM4E (0.57) KDM4EPOLBTSHRSMN1; SMN2HIF1A
SCHEMBL7936507 0.76 KDM4E (0.57) KDM4EPOLBTSHRSMN1; SMN2HIF1A
SCHEMBL9629603 0.75 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ANPC1RAB9AALDH1A1
SCHEMBL3547434 0.74 KDM4E (0.55) KDM4EPOLBTSHRSMN1; SMN2HIF1A
SCHEMBL8839506 0.74 KDM4E (0.55) KDM4EPOLBTSHRSMN1; SMN2HIF1A
SCHEMBL27427480 0.74 KDM4E (0.56) KDM4EPOLBTSHRSMN1; SMN2HIF1A

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-5182370-A Diagnostic NMR imaging BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1993-01-26 US disclosed
US-4980502-A For nuclear magnetic resonance imaging BRACCO INDUSTRIA CHIMICA, S.P.A. (IT) 1990-12-25 US disclosed
EP-0230893-B1 PARAMAGNETIC CHELATES BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1990-06-13 EP disclosed
US-4916246-A Paramagnetic chelates useful for NMR imaging BRACCO CHIMICA S.P.A. (IT) 1990-04-10 US disclosed
EP-0230893-A2 Paramagnetic chelates BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1987-08-05 EP disclosed