SCHEMBL9539853

SCHEMBL9539853

CSc1cccc(-c2ccccc2)c1NC(=N)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PLAU P00749 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
FABP4 P15090 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
SCHEMBL9059999 0.81 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9311252 0.73 FABP4 (0.49) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9537596 0.72 FABP4 (0.41) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9060350 0.70 CHRM1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9311515 0.69 MAPT (0.38) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7411224 0.68 ALDH1A1 (0.58) HTR7KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30478007 0.68 ALDH1A1 (0.58) HTR7KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8441436 0.68 ALDH1A1 (0.50) HTR7MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9535077 0.66 ALDH1A1 (0.45) HTR7SMN1; SMN2KDM4EALDH1A1MAPT
Fumaric Acid SCHEMBL9311944 0.66 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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