SCHEMBL8098023

SCHEMBL8098023

CCOC(=O)n1ccnc1C1Cc2c(C(=O)NCc3ccccc3)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPK10 P53779 2/20 0.38
MAPK8 P45983 1/20 0.38
CREBBP Q92793 1/20 0.38
GAA P10253 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7844395 0.78 ADORA2A (0.40) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL8098030 0.76 ADORA2A (0.40) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL8556215 0.75 CHRNB2 (0.40) NSD2HPGDKMT2AALDH1A1MEN1
SCHEMBL7844391 0.73 CREBBP (0.41) NSD2HPGDKMT2AALDH1A1MEN1
SCHEMBL8090721 0.72 KMT2A (0.38) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL7843220 0.71 CHRNB2 (0.53) NSD2HPGDKMT2AALDH1A1MEN1
SCHEMBL7835910 0.67 ALDH1A1 (0.43) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL7836007 0.66 CHRNB2 (0.41) NSD2HPGDKMT2AALDH1A1MEN1
SCHEMBL7844879 0.65 CHRNB2 (0.60) NSD2HPGDKMT2AALDH1A1MEN1
SCHEMBL7847145 0.64 JAK3 (0.34) HPGDKMT2AALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed