SCHEMBL9539859

SCHEMBL9539859

CSc1cccc(-c2ccccc2)c1N=C(N)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
BCAT2 O15382 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL9060002 0.81 SIGMAR1 (0.40) HTR7MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9060356 0.70 GRIN2D (0.44) RAB9ASIGMAR1PLAUGRIN2DGRIN3B
SCHEMBL9311522 0.69 GRIN2D (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30478007 0.68 ALDH1A1 (0.58) HTR7KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL7411224 0.68 ALDH1A1 (0.58) HTR7KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL3788477 0.68 ALDH1A1 (0.46) HTR7SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL29634405 0.68 ALDH1A1 (0.46) HTR7SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL8441436 0.68 ALDH1A1 (0.50) HTR7MEN1KMT2ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL9535077 0.66 ALDH1A1 (0.45) HTR7SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL9539853 0.66 HTR7 (0.38) HTR7MEN1KMT2ASMN1; SMN2RAB9A

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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed