SCHEMBL22031741

SCHEMBL22031741

C#Cc1ccc(C(=O)N2CCC(OC(=O)NC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ GRM3 Q14832 1/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL22031711 0.87 LMNA (0.43) KMT2APOLBLMNAHSD11B1EPHX2
SCHEMBL28753553 0.84 MGLL (0.52) KMT2APOLBLMNAMEN1HSD11B1
SCHEMBL27733598 0.84 LMNA (0.57) KMT2APOLBLMNAMEN1HSD11B1
SCHEMBL27713229 0.82 GAA (0.55) KMT2APOLBLMNAGAAMEN1
SCHEMBL28422447 0.81 HTT (0.47) KMT2APOLBGRM3GRM5GAA
SCHEMBL28238844 0.81 KMT2A (0.46) KMT2APOLBLMNAMEN1ABL1
SCHEMBL27713245 0.78 RAB9A (0.53) KMT2APOLBLMNAGRM5GAA
SCHEMBL19891310 0.77 NAMPT (0.60) KMT2AGRM3MEN1ABL1RIN1
SCHEMBL27713265 0.76 SFRP1 (0.46) KMT2APOLBLMNAL3MBTL3
SCHEMBL22031683 0.76 GRM5 (0.51) KMT2APOLBGRM3GRM5GAA

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
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 — — EP disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 — — WO disclosed
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