SCHEMBL9549458

SCHEMBL9549458

N#CC1CC12c1ccccc1-c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
PIM1 P11309 1/20 0.36
PDK2 Q15119 2/20 0.33
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ITGA4 P13612 1/20 0.31
LMNA P02545 2/20 0.31
S100A4 P26447 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
OPRK1 P41145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 1/20 0.30
USP8 P40818 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9549529 0.81 CA1 (0.33) MAPTGAA
SCHEMBL9543115 0.75 MAOB (0.39)
SCHEMBL19919277 0.68 PIM1 (0.40) KMT2APIM1PDK2THRBTDP1
SCHEMBL9542009 0.65 SMN1; SMN2 (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL9544341 0.65 ADORA1 (0.36) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL31426363 0.64 PDK2 (0.39) KMT2APIM1PDK2THRBTDP1
SCHEMBL161663 0.64 PDK2 (0.39) KMT2APIM1PDK2THRBTDP1
SCHEMBL9549343 0.64 KMT2A (0.49) KMT2AMAPTLMNAKDM4EMEN1
SCHEMBL19342868 0.64 PIM1 (0.41) KMT2APIM1PDK2THRBTDP1
SCHEMBL24576598 0.61 PDK2 (0.37) KMT2APIM1PDK2THRBTDP1

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-5219839-A Analgesics; anticonvulsant and -epileptic agents; antidepressants; anxiolytic, antiarrhythmic and hypotensive agents; anticoagulants LABORATORIES UPSA (FR) 1993-06-15 US disclosed