SCHEMBL7480981

SCHEMBL7480981

CC(Br)c1nc2ccccc2c(=O)n1CCO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 5/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
CACNA2D1 P54289 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 3/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GFER P55789 1/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL3821928 0.88 ALDH1A1 (0.49) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6096918 0.82 ALDH1A1 (0.58) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22854493 0.82 ALDH1A1 (0.57) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3816839 0.80 KDM4E (0.57) ALDH1A1SMN1; SMN2MAPTPOLBRAB9A
SCHEMBL3828558 0.79 TSHR (0.83) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7475492 0.76 TSHR (0.55) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL874882 0.76 TSHR (0.58) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22854475 0.76 KDM4E (0.44) TSHRKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL22854483 0.74 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL11008746 0.74 CASR (0.72) TSHRMEN1KMT2AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 US disclosed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP disclosed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 WO disclosed