SCHEMBL14503271

SCHEMBL14503271

Cc1ccc([N+](=O)[O-])cc1NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.59
P2RX4 Q99571 1/20 0.59
P2RX2 Q9UBL9 1/20 0.59
ALDH1A1 P00352 9/20 0.55
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 6/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP2C19 P33261 2/20 0.51
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL19072597 0.83 PKM (0.63) P2RX7P2RX4P2RX2ALDH1A1HTT
SCHEMBL19056902 0.82 ALDH1A1 (0.69) P2RX7P2RX4P2RX2ALDH1A1HTT
SCHEMBL12443098 0.79 ALDH1A1 (0.75) P2RX7P2RX4P2RX2ALDH1A1HTT
SCHEMBL14503265 0.77 KMT2A (0.62) P2RX7P2RX4P2RX2ALDH1A1HTT
SCHEMBL19072599 0.77 PKM (0.58) ALDH1A1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL4320209 0.76 HTT (0.68) ALDH1A1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL11332313 0.76 KMT2A (0.71) ALDH1A1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL4320215 0.76 HTT (0.68) ALDH1A1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL11822463 0.76 P2RX7 (0.74) P2RX7P2RX4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10363567 0.75 HTT (0.56) ALDH1A1HTTSMN1; SMN2KMT2ALMNA

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-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed