SCHEMBL7941573

SCHEMBL7941573

Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 6/20 0.57
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
FFAR1 O14842 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 2/20 0.51
LIPE Q05469 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
SCN9A Q15858 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL7941577 0.89 RAB9A (0.55) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL7943024 0.88 LMNA (0.58) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL16638538 0.86 RAB9A (0.62) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL11299037 0.85 RAB9A (0.65) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL11262678 0.82 CYP1A2 (0.63) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL7943182 0.82 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL11360493 0.81 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL3202784 0.81 PPARG (0.65) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL3219519 0.81 PPARG (0.63)
SCHEMBL12585076 0.80 LMNA (0.64) RAB9ASMN1; SMN2LMNAHPGDALDH1A1

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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed