SCHEMBL8543299

SCHEMBL8543299

CCCOc1ccc([N+](=O)[O-])c(C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
S1PR4 O95977 2/20 0.46
LMNA P02545 6/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8542042 0.93 MAPT (0.45) MAPTS1PR4LMNAALDH1A1NPC1
SCHEMBL9078611 0.81 TDP1 (0.40) MAPTS1PR4LMNAALDH1A1NPC1
SCHEMBL8548365 0.79 TDP1 (0.50) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL8547105 0.78 SIGMAR1 (0.39) MAPTS1PR4ALDH1A1NPC1RAB9A
SCHEMBL8546360 0.78 PIN1 (0.50) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL26132980 0.78 RAB9A (0.57) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL16175251 0.78 MAPT (0.44) MAPTS1PR4LMNAALDH1A1NPC1
SCHEMBL363493 0.77 S1PR4 (0.64) MAPTS1PR4LMNAALDH1A1NPC1
SCHEMBL28092517 0.76 MAPT (0.48) MAPTS1PR4LMNAALDH1A1NPC1
SCHEMBL2429316 0.75 ALDH1A1 (0.66) MAPTS1PR4LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593513-B1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP disclosed
US-5571833-A TREATMENT OF MIGRAINE, PORTAL HYPERTENSION SMITHKLINE BEECHAM PLC (GB) 1996-11-05 US disclosed
EP-0593513-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1994-04-27 EP disclosed
WO-1993000333-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO disclosed