SCHEMBL8443255

SCHEMBL8443255

CON=C(C#N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38

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
SCHEMBL1344772 0.79 NPSR1 (0.50) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL23504933 0.79 NPSR1 (0.50) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8442853 0.79 SMN1; SMN2 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1344768 0.79 NPSR1 (0.50) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8848886 0.78 PLA2G7 (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8441573 0.78 PLA2G7 (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10085282 0.77 MAPT (0.42) MAPTALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11252094 0.75 SMN1; SMN2 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11252091 0.75 SMN1; SMN2 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16437274 0.74 MAPT (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-5965613-A FUNGICIDES FOR USE IN AGRICULTURE AND HORTICULTURE; THE COMPOUNDS ALSO HAVE INSECTICIDAL AND ACARICIDAL ACTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-10-12 — — US disclosed
Send feedback