SCHEMBL9004690

SCHEMBL9004690

O=c1c(=NNC(=S)Nc2cccc(Br)c2)c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 1/20 0.56
IDO1 P14902 1/20 0.51
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 4/20 0.45
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 2/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL9004754 0.85 STING1 (0.50) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9004715 0.85 MAPT (0.53) KMT2AALDH1A1MEN1IDO1LMNA
SCHEMBL9004676 0.84 ALDH1A1 (0.55) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL9004665 0.77 ALDH1A1 (0.52) KMT2AALDH1A1MEN1IDO1LMNA
SCHEMBL9004623 0.76 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL8856667 0.76 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL5442089 0.74 KMT2A (0.89) KMT2AALDH1A1MEN1KDM4EIDO1
SCHEMBL31388373 0.74 KMT2A (0.89) KMT2AALDH1A1MEN1KDM4EIDO1
SCHEMBL16566477 0.73 KMT2A (1.00) KMT2AALDH1A1MEN1KDM4EIDO1
SCHEMBL9004636 0.73 CYP1A2 (0.51) KMT2AALDH1A1MEN1IDO1LMNA

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
US-5571843-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1996-11-05 US disclosed