SCHEMBL11840944

SCHEMBL11840944

O=COc1cccc(NO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
IDO1 P14902 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
TP53 P04637 3/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NLRP3 Q96P20 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL24510192 0.81 APP (0.45) RXFP1KMT2AMEN1MMP1MMP2
SCHEMBL7350331 0.79 MTNR1A (0.55) RXFP1KMT2AMEN1TSHRNPC1
SCHEMBL14877346 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11083773 0.78 ALDH1A1 (0.60) RXFP1KMT2AMEN1MMP1MMP2
SCHEMBL2784313 0.77 MTNR1B (0.45) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL18683261 0.75 ALDH1A1 (0.41) KMT2AMEN1IDO1MMP1MMP2
SCHEMBL5311132 0.74 KMT2A (0.56) RXFP1KMT2AMEN1IDO1TP53
SCHEMBL320511 0.74 CYP3A4 (0.52) POLBALDH1A1CYP3A4
SCHEMBL1814174 0.73 KMT2A (0.69) RXFP1KMT2AMEN1TP53NPC1
SCHEMBL4463825 0.72 CYP3A4 (0.50) POLBALDH1A1CYP3A4

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-3982922-A Herbicidal compositions containing furancarboxamides VELSICOL CHEMICAL CORPORATION (US) 1976-09-28 US disclosed