SCHEMBL7716094

SCHEMBL7716094

O=C(Nc1ccc(S(=O)(=O)N2CCSCC2=O)cc1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
P2RX1 P51575 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.41

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
SCHEMBL491890 0.85 LMNA (0.59) KMT2AMEN1ALDH1A1KDM4EP2RX1
SCHEMBL7716098 0.80 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL492434 0.78 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL27564373 0.76 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6591721 0.76 P2RX1 (0.64) KMT2AMEN1ALDH1A1MAPTP2RX1
SCHEMBL491122 0.75 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTP2RX1
SCHEMBL491924 0.73 KMT2A (0.63) KMT2AMEN1ALDH1A1MAPTP2RX1
SCHEMBL491965 0.72 LMNA (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6594872 0.72 P2RX1 (0.58) KMT2AMEN1ALDH1A1MAPTP2RX1
SCHEMBL27782904 0.71 KDM1A (0.64) KMT2AMEN1ALDH1A1KDM4EMAPT

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-6335334-B1 HYPERTENSIVE AGENTS, ANTICOAGULANTS; CARDIOVASCULAR AND SEXUAL DISORDERS, ANGINA PECTORIS, AND ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-01 US disclosed