SCHEMBL10393003

SCHEMBL10393003

NC(Cc1ccc2ccccc2c1Br)=NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
NLRP3 Q96P20 1/20 0.35
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPC1 O15118 1/20 0.35
PRNP P04156 1/20 0.35

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
SCHEMBL10391888 0.81 LMNA (0.47) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL7477565 0.80 POLB (0.47) POLBSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL11329070 0.80 TDP1 (0.55) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10391498 0.75 SMN1; SMN2 (0.42) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10391499 0.75 SMN1; SMN2 (0.42) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL596646 0.75 POLB (0.57) POLBSMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL7399435 0.75 POLB (0.48) POLBSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7468694 0.75 TDP1 (0.62) POLBSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL10417868 0.73 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL10417869 0.73 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393941-A1 Naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4897405-A Novel naphthalenylalkyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-30 US disclosed