SCHEMBL29200418

SCHEMBL29200418

O=C(Nc1cccc(F)c1)Nc1cccc(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MTOR P42345 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.56
NPC1 O15118 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
GBA1 P04062 1/20 0.54
GAA P10253 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL30802672 1.00 RAB9A (0.62) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL28312315 0.92 RAB9A (0.53) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL14052664 0.90 PDK1 (0.58) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL29200431 0.89 MTOR (0.64) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL30851500 0.86 RAB9A (0.79) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL27193042 0.86 RAB9A (0.79) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL30802661 0.86 RAB9A (0.65) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL29200400 0.86 RAB9A (0.65) RAB9AMEN1KMT2AMTORTAAR1
SCHEMBL30802742 0.85 SMN1; SMN2 (0.61) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL27954484 0.85 SMN1; SMN2 (0.61) RAB9AMEN1KMT2AMAPTLMNA

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
CN-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN disclosed