SCHEMBL13745503

SCHEMBL13745503

O=C(NCCCN1CCCCCC1)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GNAI3 P08754 1/20 0.55
GNAO1 P09471 1/20 0.55
GNAI1 P63096 1/20 0.55
TSHR P16473 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CYP2D6 P10635 2/20 0.46
SMAD3 P84022 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL2146376 0.92 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1GNAI3
SCHEMBL19010582 0.91 ALOX15 (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1GNAI3
Hydrochloric Acid SCHEMBL2145807 0.90 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1GNAI3
Hydrochloric Acid SCHEMBL2145809 0.90 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1GNAI3
SCHEMBL16908301 0.89 ALOX15 (0.56) SMN1; SMN2GNAI3GNAO1GNAI1TSHR
SCHEMBL13875530 0.89 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AL3MBTL1TSHR
SCHEMBL14761461 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1GNAI3
SCHEMBL19849351 0.88 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2AL3MBTL1TSHR
SCHEMBL3021250 0.86 LMNA (0.56) SMN1; SMN2MEN1KMT2AGNAI3GNAO1
SCHEMBL14761832 0.84 DRD2 (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed