SCHEMBL19799256

SCHEMBL19799256

Cc1cccc(CCc2ccc(I)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B3 P37058 1/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL19369541 0.83 PDE10A (0.43) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL24916774 0.80 CCR1 (0.52) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL30201993 0.80 CCR1 (0.52) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL10144469 0.78 KCNH2 (0.54) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL20197290 0.72 HRH3 (0.35) NOS2NOS1NOS3CYP3A4GABRA1
SCHEMBL16565657 0.72 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL23920503 0.71 GAA (0.45) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL427622 0.70 KCNH2 (0.52) SMN1; SMN2HSD17B3NOS2NOS1CCR1
SCHEMBL1563917 0.69 KCNH2 (0.73) SMN1; SMN2NOS2NOS1CCR1CCR8
SCHEMBL30173447 0.69 KCNH2 (0.73) SMN1; SMN2NOS2NOS1CCR1CCR8

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-20180022875-A1 COMPOSITION AND POLYAMIDEIMIDE COMPOSITE AND POLYAMIDEIMIDE FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-25 — — US disclosed
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