SCHEMBL22561764

SCHEMBL22561764

N#Cc1ccc(Cn2nnc3ccccc32)cc1-n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 9/20 0.52
▸ SLC9A1 P19634 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ CYP2C9 P11712 1/20 0.43
▸ KCNMA1 Q12791 1/20 0.42

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
SCHEMBL16879473 0.82 GRM2 (0.55) GRM2SLC9A1TDP1TSHRGLA
SCHEMBL21900390 0.77 POLB (0.44) POLBKDM4ELMNANPSR1TSHR
SCHEMBL24266819 0.75 KDM4E (0.52) SLC9A1POLBKDM4ELMNANPSR1
SCHEMBL13896899 0.73 KCNMA1 (0.61) GRM2SLC9A1TDP1KDM4ELMNA
SCHEMBL9305191 0.72 GAA (0.66) GRM2SLC9A1TDP1LMNATSHR
SCHEMBL30368818 0.72 GAA (0.66) GRM2SLC9A1TDP1LMNATSHR
SCHEMBL16879845 0.71 CYP19A1 (0.60) GRM2
SCHEMBL6946472 0.71 TDP1 (0.68) GRM2SLC9A1TDP1CYP2C9KCNMA1
SCHEMBL2734889 0.70 GRM2 (1.00) GRM2SLC9A1TDP1KDM4EMAPT
SCHEMBL14102741 0.69 SLC9A1 (0.50) GRM2SLC9A1TDP1KDM4ELMNA

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-3089966-B1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE ESTRYX PHARMA LTD (GB) 2020-10-21 — — EP disclosed
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