SCHEMBL7385259

SCHEMBL7385259

O=C(O)N1CCCCc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.61
PDK2 Q15119 3/20 0.61
PDK3 Q15120 3/20 0.61
PDK4 Q16654 3/20 0.61
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.49
P2RY1 P47900 1/20 0.43
NOTUM Q6P988 1/20 0.43
S1PR1 P21453 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
ADORA1 P30542 1/20 0.42
ADRA1A P35348 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
RIPK1 Q13546 1/20 0.41
CA12 O43570 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
SCHEMBL6757671 0.96 PDK1 (0.66) PDK1PDK2PDK3PDK4MAPT
SCHEMBL24011118 0.84 LMNA (0.71) PDK1PDK2PDK3PDK4MAPT
SCHEMBL7668576 0.84 PDK1 (0.56) PDK1PDK2PDK3PDK4MAPT
SCHEMBL2776090 0.82 HSD17B10 (0.71) PDK1PDK2PDK3PDK4MAPT
SCHEMBL26763825 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6754913 0.80 PDK1 (0.60) PDK1PDK2PDK3PDK4MAPT
SCHEMBL7382818 0.80 NOTUM (0.62) MAPTLMNANOTUMKDM4ETSHR
SCHEMBL7838147 0.78 HSD17B10 (0.64) PDK1PDK2PDK3PDK4MAPT
SCHEMBL16589863 0.77 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL6754157 0.76 PDK1 (0.42) PDK1PDK2PDK3PDK4LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed