SCHEMBL7877529

SCHEMBL7877529

CC(=N)Nc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 1/20 0.55
IDO1 P14902 1/20 0.53
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
TGM2 P21980 1/20 0.51
ALOX12 P18054 1/20 0.51
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 2/20 0.48
P2RX1 P51575 1/20 0.47
ALOX15 P16050 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7865767 0.85 POLB (0.47) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2282496 0.83 MEN1 (0.58) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL27699051 0.81 MEN1 (0.56) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL28879971 0.80 MEN1 (0.65) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL264735 0.80 GAA (0.66) GAAALDH1A1IDO1HPGDTGM2
SCHEMBL17777456 0.80 MEN1 (0.55) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11878139 0.80 IDO1 (0.58) GAAALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL19371403 0.78 MEN1 (0.53) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL18743593 0.78 IDO1 (0.47) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL7874967 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNARAB9A

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