SCHEMBL9059671

SCHEMBL9059671

CCCCCN/C(=N/c1ccccc1N1CCOCC1)NC.CCCCN/C(=N\c1cc(C)ccc1N1CCOCC1)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 6/20 0.37
NAPEPLD Q6IQ20 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9059674 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9059908 0.93 ALDH1A1 (0.41) SMN1; SMN2MAPTKMT2ATSHRALDH1A1
SCHEMBL9424421 0.93 ALDH1A1 (0.41) SMN1; SMN2MAPTKMT2ATSHRALDH1A1
SCHEMBL9424109 0.92 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9424111 0.92 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9059818 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9059822 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9555562 0.87 L3MBTL1 (0.39) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9555559 0.87 L3MBTL1 (0.39) SMN1; SMN2MAPTKMT2AMEN1TSHR
SCHEMBL9424240 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1TSHRNPSR1

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-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed