SCHEMBL11290539

SCHEMBL11290539

CCSN1C(=O)C(=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)N(SCC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.40
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
GRK5 P34947 1/20 0.35
LIMK1 P53667 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 3/20 0.34
HTT P42858 2/20 0.34
CYP3A4 P08684 1/20 0.33
HPRT1 P00492 1/20 0.33
GPR35 Q9HC97 1/20 0.33
FTO Q9C0B1 2/20 0.32
PABPC1 P11940 2/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 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
SCHEMBL11286251 0.91 HPRT1 (0.43) HKDC1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11282137 0.91 KDM4E (0.38) HKDC1ALDH1A1MAPTKDM4EGLA
SCHEMBL11281196 0.86 HKDC1 (0.42) HKDC1CHEK1DAPK3GRK5LIMK1
SCHEMBL11285382 0.82 PTPRC (0.43) ALDH1A1KDM4ECYP3A4CASP1CASP3
SCHEMBL11285425 0.80 PTPRC (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11276864 0.80 PTPRC (0.40) ALDH1A1MEN1KMT2AHPRT1CASP1
SCHEMBL11283800 0.78 ALDH1A1 (0.41) HKDC1ALDH1A1MAPTKDM4EGLA
SCHEMBL11292899 0.77 HPRT1 (0.46) HKDC1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11285507 0.77 MEN1 (0.39) HKDC1ALDH1A1MAPTKDM4EGLA
SCHEMBL11290531 0.76 HKDC1 (0.41) HKDC1ALDH1A1MAPTKDM4EGLA

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-4349618-A 5-DIPHENYLMETHYLENE- OR 5-(FLUOREN-9-YLIDENE) THIOBARBITURIC ACID AND DERIVATIVES AS SENSITIZERS FOR N-VVINYLCARBAZOLE POLYMERS; ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US disclosed