SCHEMBL7874987

SCHEMBL7874987

CC(=N)Nc1cccc(-c2csc(N)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 12/20 0.52
RAB9A P51151 6/20 0.52
KDM4E B2RXH2 5/20 0.52
HK1 P19367 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
FBP1 P09467 1/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
NPC1 O15118 5/20 0.49
HRH4 Q9H3N8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.48
HDAC3 O15379 2/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL3140270 0.86 SMN1; SMN2 (0.65) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL28490658 0.77 MAPT (0.58) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL7121746 0.77 HDAC3 (0.63) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL22822212 0.77 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL25735674 0.75 HTT (0.76) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL11239265 0.75 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL10734301 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL3612694 0.75 MAPT (0.67) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL25829360 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL8057745 0.74 MAPT (0.68) ALDH1A1MEN1KMT2AHTTLMNA

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
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed