SCHEMBL9209237

SCHEMBL9209237

CCOC(=O)c1ccc(OCC2(O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
PKM P14618 1/20 0.55
SSTR5 P35346 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PRMT1 Q99873 1/20 0.52
POLB P06746 1/20 0.50
TSHR P16473 2/20 0.49
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 2/20 0.49
P4HB P07237 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL2336799 0.89 MEN1 (0.55) LMNAMAPK1PKMSSTR5KMT2A
SCHEMBL2341863 0.86 SSTR5 (0.60) MAPK1PKMSSTR5POLBTSHR
SCHEMBL10345184 0.82 OPRL1 (0.56) MAPK1KMT2AMEN1POLBTSHR
SCHEMBL15952851 0.82 OPRL1 (0.63) LMNAMAPK1KMT2AMEN1L3MBTL1
Bromide SCHEMBL10345274 0.81 OPRL1 (0.55) MAPK1KMT2AMEN1POLBTSHR
SCHEMBL10345227 0.80 CCR3 (0.60) MAPK1POLBCYP2D6ALDH1A1CYP3A4
SCHEMBL9212770 0.79 CHRM4 (0.51) SMN1; SMN2
SCHEMBL2342807 0.77 CYP3A4 (0.57) MAPK1KMT2AMEN1POLBTSHR
SCHEMBL10345569 0.77 CHRM2 (0.58) MAPK1PKMSSTR5L3MBTL1POLB
SCHEMBL9211504 0.77 TDP1 (0.46) LMNAKMT2AMEN1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed