SCHEMBL9404010

SCHEMBL9404010

[N-]=[N+]=C(C(=O)CCc1ccc(S(=O)(=O)Cl)cc1)C(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP2C19 P33261 3/20 0.36
KMT2A Q03164 3/20 0.36
PPARG P37231 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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
SCHEMBL9404042 0.84 ALDH1A1 (0.51) POLBALDH1A1CYP2C19LMNARAB9A
SCHEMBL456926 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL9404000 0.78 ALDH1A1 (0.47) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL9404052 0.77 ALDH1A1 (0.46) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL9404011 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9404018 0.75 ALDH1A1 (0.39) ALDH1A1KMT2ALMNA
SCHEMBL9404008 0.70 CA2 (0.44) ALDH1A1KMT2ALMNAGAANPSR1
Ammonia Solution, Strong SCHEMBL9404032 0.69 CA2 (0.42) ALDH1A1KMT2ALMNAGAANPSR1
SCHEMBL9404060 0.69 ALDH1A1 (0.40) ALDH1A1KMT2ALMNA
SCHEMBL9403999 0.69 ALDH1A1 (0.40) ALDH1A1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed