SCHEMBL8326596

SCHEMBL8326596

O=C(NCc1ccccn1)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.64
PTGER4 P35408 1/20 0.64
PTGER3 P43115 1/20 0.64
PTGER2 P43116 1/20 0.64
LMNA P02545 4/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK14 Q16539 1/20 0.55
KMT2A Q03164 4/20 0.54
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
MEN1 O00255 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL8675514 0.90 KMT2A (0.55) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8675517 0.88 KMT2A (0.61) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8464721 0.86 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8322433 0.86 RAB9A (0.58) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8406785 0.84 MEN1 (0.55) LMNANPC1POLBRAB9AMAPK14
SCHEMBL8325122 0.82 POLB (0.56) PTGER1LMNANPC1POLBRAB9A
SCHEMBL8321384 0.81 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8321954 0.81 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8322098 0.81 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8327425 0.80 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed