SCHEMBL8392016

SCHEMBL8392016

CC(=O)Nc1ccccc1N=C(N)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NEU3 Q9UQ49 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
ABCC1 P33527 1/20 0.39
TSHR P16473 1/20 0.38

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
Hydrochloric Acid SCHEMBL8397214 0.99 SIGMAR1 (0.50) SIGMAR1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL8392264 0.88 SIGMAR1 (0.48) SIGMAR1KMT2ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8397186 0.87 SIGMAR1 (0.47) SIGMAR1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8392676 0.80 ALDH1A1 (0.43) SIGMAR1SMN1; SMN2PKMMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL8392007 0.79 ALDH1A1 (0.43) SIGMAR1SMN1; SMN2PKMMAPK1ALDH1A1
SCHEMBL8394240 0.74 MEN1 (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL8392827 0.73 MAPT (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1HSD17B10
SCHEMBL8393004 0.72 SIGMAR1 (0.62) SIGMAR1KMT2AMEN1HPGDKDM4E
Hydrochloric Acid SCHEMBL8396117 0.72 MAPT (0.58) KMT2ASMN1; SMN2MEN1ALDH1A1HSD17B10
SCHEMBL8392013 0.72 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP claimed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO claimed