SCHEMBL8553993

SCHEMBL8553993

O=C(CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
OGA O60502 1/20 0.52
ALDH1A1 P00352 5/20 0.51
NR4A2 P43354 4/20 0.50
NR4A1 P22736 2/20 0.50
NR4A3 Q92570 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
ABCC4 O15439 1/20 0.48
C5 P01031 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL8554363 0.94 KDR (0.57) KDRLMNAOGANR4A2ATM
SCHEMBL8555039 0.93 ATM (0.62) KDRLMNASMN1; SMN2OGAALDH1A1
SCHEMBL8556969 0.93 REV1 (0.53) KDROGAALDH1A1ATMMEN1
SCHEMBL8557154 0.90 KDR (0.60) KDRLMNASMN1; SMN2OGAALDH1A1
SCHEMBL8552887 0.86 NR4A2 (0.47) KDRLMNAALDH1A1NR4A2NR4A1
SCHEMBL8554568 0.86 KDR (0.58) KDRLMNAALDH1A1NR4A2NR4A1
SCHEMBL8553599 0.83 KDR (0.48) KDRLMNAALDH1A1NR4A2NR4A1
SCHEMBL18409351 0.83 ALDH1A1 (0.54) KDRLMNAALDH1A1NR4A2NR4A1
SCHEMBL8554274 0.80 KDR (0.45) KDRLMNASMN1; SMN2ALDH1A1NR4A2
SCHEMBL18409496 0.78 NR4A2 (0.53) LMNASMN1; SMN2ALDH1A1NR4A2NR4A1

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
EP-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP claimed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US claimed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP claimed