SCHEMBL10691585

SCHEMBL10691585

COc1cccc(C2Cc3ccccc3N(C)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GID4 Q8IVV7 1/20 0.48
PYGL P06737 1/20 0.46
PYGM P11217 1/20 0.46
CYP19A1 P11511 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 1/20 0.44
CHRNA7 P36544 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10694512 0.85 CACNA1S (0.51) PYGLPYGMCYP19A1KMT2ATSHR
SCHEMBL10695532 0.82 TSHR (0.65) PYGLPYGMCYP19A1KMT2ATSHR
SCHEMBL30489285 0.82 TSHR (0.65) PYGLPYGMCYP19A1KMT2ATSHR
SCHEMBL10694700 0.82 DRD2 (0.39) KMT2ATSHR
SCHEMBL9147933 0.76 LMNA (0.64) LMNAGID4CYP19A1DDB1CRBN
SCHEMBL10691415 0.75 DRD2 (0.44) CYP19A1KMT2AGAACHRNA7MEN1
SCHEMBL2003982 0.73 DDB1 (0.59) LMNAGID4CYP19A1DDB1CRBN
SCHEMBL7673770 0.71 ROCK2 (0.54) GID4CYP19A1DDB1CRBNCHRNA7
SCHEMBL6286139 0.70 CYP19A1 (0.55) LMNAGID4CYP19A1DDB1CRBN
SCHEMBL11618387 0.70 SLC6A2 (0.58) GID4CYP19A1DDB1CRBNKMT2A

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-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
EP-0212216-A1 Dihydroquinolinone derivatives, processes for their preparation, medicaments containing them, the use of these medicaments, and intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed