SCHEMBL9546458

SCHEMBL9546458

NCCSSCCNc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
CHRNA7 P36544 1/20 0.40
LTA4H P09960 1/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 1/20 0.38
CDK2 P24941 1/20 0.38
FLT4 P35916 1/20 0.38
LMNA P02545 1/20 0.38
SPR P35270 1/20 0.38
CYP2A6 P11509 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
RAD52 P43351 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Hydrochloric Acid SCHEMBL6036964 0.98 RAB9A (0.42) RAB9ACHRNA7LTA4HHPGDNOTUM
SCHEMBL4572901 0.83 RAB9A (0.50) RAB9ACHRNA7LTA4HCDK2FLT4
SCHEMBL21087536 0.80 CYP2A6 (0.50) RAB9ACHRNA7LTA4HCDK2FLT4
SCHEMBL21426653 0.78 RAB9A (0.50) RAB9ALTA4HCDK2FLT4SPR
SCHEMBL15055378 0.72 RAB9A (0.50) RAB9ALTA4HHPGDCDK2FLT4
SCHEMBL6524612 0.72 RAB9A (0.64) RAB9AKMT2AMEN1MAPT
SCHEMBL27316413 0.72 RAB9A (0.50) RAB9ALTA4HHPGDCDK2FLT4
SCHEMBL3643530 0.72 RAB9A (0.54) RAB9ALTA4HCDK2FLT4LMNA
SCHEMBL4383419 0.72 RAB9A (0.50) RAB9ALTA4HHPGDCDK2FLT4
SCHEMBL22851453 0.70 RAB9A (0.53) RAB9ACHRNA7LTA4HCDK2FLT4

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
WO-1993025240-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1993-12-23 WO disclosed