SCHEMBL21668045

SCHEMBL21668045

CCOC(=O)C1=C(C)N(C)C(c2c(F)cccc2F)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 4/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2B P29275 3/20 0.39
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL1996045 0.67 CA12 (0.66) KDM4EGAATSHRALDH1A1RAB9A
SCHEMBL4787921 0.67 ALDH1A1 (0.44) TSHRPOLBALDH1A1PKMLMNA
SCHEMBL18255787 0.66 TTR (0.57) KDM4EALDH1A1RAB9AHPGDLMNA
SCHEMBL3694807 0.66 TSHR (0.53) KDM4EGAATSHRPOLBALDH1A1
SCHEMBL28478921 0.65 ALOX15 (0.61) KDM4EGAATSHRPOLBALDH1A1
SCHEMBL4861464 0.65 ALDH1A1 (0.41) KDM4EGAATSHRALDH1A1ALOX12
SCHEMBL1278441 0.64 CA12 (0.41) KDM4EGAATSHRALDH1A1HPGD
SCHEMBL5248806 0.64 TSHR (0.63) KDM4EGAATSHRPOLBALDH1A1
SCHEMBL28391542 0.64 CA12 (0.59) KDM4EGAATSHRALDH1A1RAB9A
SCHEMBL830006 0.64 TSHR (0.63) KDM4EGAATSHRPOLBALDH1A1

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-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed