SCHEMBL27752016

SCHEMBL27752016

O=C(C=Cc1cccs1)Nc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.66
SMN1; SMN2 Q16637 8/20 0.66
NPC1 O15118 7/20 0.66
MMP1 P03956 4/20 0.63
MMP2 P08253 4/20 0.63
MMP9 P14780 4/20 0.63
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 3/20 0.61
MAOB P27338 3/20 0.60
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.59
PSMD14 O00487 1/20 0.59
GLA P06280 1/20 0.59
HTT P42858 1/20 0.59
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL27752045 0.85 RAB9A (0.67) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL27752076 0.84 EGFR (0.67) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL18985299 0.83 RAB9A (0.74) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL18985301 0.83 RAB9A (0.74) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL27752042 0.81 RAB9A (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL705746 0.77 MMP1 (1.00) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL705745 0.77 MMP1 (1.00) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL9362455 0.77 RAB9A (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL3040771 0.76 RAB9A (0.69) RAB9ASMN1; SMN2NPC1MMP1MMP2
SCHEMBL3040770 0.76 RAB9A (0.69) RAB9ASMN1; SMN2NPC1MMP1MMP2

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-101365681-A Iminopropene compound and use thereof SUMITOMO CHEMICAL CO (JP) 2009-02-11 CN disclosed