SCHEMBL9865872

SCHEMBL9865872

Cc1ccc(-n2nc3c(cc2=O)CCc2ccc(OCC(O)CNC(C)C)cc2-3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.44
ADRB1 P08588 4/20 0.44
ADRB3 P13945 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CNR1 P21554 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL9866651 0.95 ADRB2 (0.45) ADRB2ADRB1ADRB3LMNATDP1
SCHEMBL9865381 0.92 ADRB2 (0.42) ADRB2ADRB1ADRB3PTGS1SLC6A2
SCHEMBL9602957 0.89 PTGS1 (0.42) ADRB2ADRB1ADRB3LMNATDP1
SCHEMBL9866493 0.83 HRH3 (0.41) TDP1KDM4EHRH3
SCHEMBL9867905 0.78 ADRB2 (0.44) ADRB2ADRB1ADRB3PTGS1SLC6A2
SCHEMBL9603116 0.78 CYP2D6 (0.41) ADRB2ADRB1ADRB3TSHR
SCHEMBL10445204 0.76 HRH3 (0.42) LMNAKDM4EHRH3
SCHEMBL9866278 0.76 HRH3 (0.47) KDM4ECYP1A2CYP3A4HRH3
SCHEMBL9866414 0.76 HRH3 (0.38) TDP1KDM4EHRH3
SCHEMBL9867010 0.75 ALDH1A1 (0.39) LMNATDP1KDM4ETSHRHRH3

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed