SCHEMBL7822282

SCHEMBL7822282

CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C1OC1C(C)(C)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
NR1I2 O75469 1/20 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
SCHEMBL7819583 0.85 ATM (0.52) KMT2ATSHRMAPTLMNASMN1; SMN2
SCHEMBL7846865 0.85 ABCC9 (0.49) KMT2ATSHRMAPK1MAPTLMNA
SCHEMBL7824308 0.82 KCNA5 (0.39) KMT2AMEN1POLB
SCHEMBL9195467 0.81 TSHR (0.40) KMT2ATSHRMAPTALDH1A1MEN1
SCHEMBL482008 0.78 ABCC9 (0.48) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3442031 0.78 ABCC9 (0.48) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7821527 0.78 ESR1 (0.46) ESR1KMT2ATSHRMAPK1HSD17B10
SCHEMBL9198079 0.77 IDO1 (0.38)
SCHEMBL7821581 0.77 ABCB1 (0.36) KMT2AMEN1POLB
SCHEMBL7825809 0.76 FFAR1 (0.44) HSD17B10MAPTHPGDNPSR1HIF1A

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
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 EP disclosed