SCHEMBL7090892

SCHEMBL7090892

O=C(Nc1ccc(Br)cn1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
DEGS1 O15121 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL5143604 0.86 DEGS1 (0.65) POLBTSHRLMNARAB9ASMN1; SMN2
SCHEMBL22607251 0.83 RAB9A (0.59) POLBTSHRALDH1A1LMNARAB9A
SCHEMBL31307412 0.82 POLB (0.51) POLBTSHRALDH1A1LMNARAB9A
SCHEMBL23608334 0.82 POLB (0.51) POLBTSHRALDH1A1LMNARAB9A
SCHEMBL24616597 0.82 SMN1; SMN2 (0.54) POLBTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL16755148 0.82 GCK (0.50) POLBTSHRRAB9ASMN1; SMN2MAPT
SCHEMBL7095081 0.81 GCK (0.52) POLBTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL18216846 0.80 TRPV1 (0.52) POLBTSHRALDH1A1LMNARAB9A
SCHEMBL22607138 0.80 MEN1 (0.49) POLBTSHRLMNARAB9ASMN1; SMN2
SCHEMBL8986532 0.80 RAB9A (0.59) TSHRRAB9AMAPTNPC1KMT2A

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-0842924-B1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER (US) 2003-08-20 EP disclosed
US-6031105-A Substituted pyridines PFIZER INC (US) 2000-02-29 US disclosed
US-6008361-A Substituted pyridines PFIZER INC. (US) 1999-12-28 US disclosed
EP-0842924-A1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER INC. (US) 1998-05-20 EP disclosed