SCHEMBL16638538

SCHEMBL16638538

Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 6/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LIPE Q05469 1/20 0.53
XBP1 P17861 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FFAR1 O14842 1/20 0.51

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
SCHEMBL11262678 0.88 CYP1A2 (0.63) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL11299037 0.88 RAB9A (0.65) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL11360493 0.87 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL7941573 0.86 RAB9A (0.59) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL12585076 0.86 LMNA (0.64) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL7941577 0.85 RAB9A (0.55) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL7945235 0.85 RAB9A (0.55) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL9790809 0.84 LMNA (0.67) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL1153779 0.84 LMNA (0.61) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL11459158 0.82 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2LMNACYP1A2CYP3A4

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
US-9006259-B2 N1-sulfonyl-5-fluoropyrimidinone derivatives DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed