SCHEMBL8027600

SCHEMBL8027600

CCC(O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.56
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.42
SOS1 Q07889 1/20 0.41
POLB P06746 1/20 0.36
CHRM1 P11229 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL65057 0.85 ALDH1A1 (0.65) MITFALDH1A1KMT2APKMLMNA
SCHEMBL65075 0.85 ALDH1A1 (0.65) MITFALDH1A1KMT2APKMLMNA
SCHEMBL1229422 0.79 MITF (0.46) MITFALDH1A1KMT2APKMLMNA
SCHEMBL12901769 0.79 MITF (0.44) MITFALDH1A1KMT2APKMLMNA
SCHEMBL2358150 0.78 KMT2A (0.71) ALDH1A1KMT2ALMNACHRM1MAPK1
SCHEMBL16367393 0.75 L3MBTL1 (0.46) ALDH1A1PKMCHRM1MAPK1ATM
SCHEMBL14004051 0.73 ALDH1A1 (0.46) MITFALDH1A1KMT2APKMLMNA
SCHEMBL3303223 0.73 MITF (0.55) MITFALDH1A1KMT2APKMLMNA
SCHEMBL11418348 0.72 ALDH1A1 (0.59) MITFALDH1A1KMT2APKMSOS1
SCHEMBL5405731 0.72 MITF (0.65) MITFALDH1A1KMT2APKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087358-A BACTERICIDES TREATING PATHOGENIC INFECTIONS OF MYCOBACTERIA, CLOSTRIDIUM, CRYPTOSPORIDIUM OR HELICOBACTER AND MULTIDRUG-RESISTANT TUBERCULOSIS PATHOGENESIS CORPORATION (US) 2000-07-11 US disclosed
US-5668127-A MYCOBACTERIUM TUBERCULOSIS, CLOSTRIDIUM PATHOGENESIS CORPORATION (US) 1997-09-16 US disclosed