SCHEMBL30635735

SCHEMBL30635735

C=Cc1cc(N2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ TGM1 P22735 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ GPR119 Q8TDV5 9/20 0.43
▸ PARP1 P09874 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RET P07949 2/20 0.35
▸ AR P10275 2/20 0.35
▸ IDH1 O75874 1/20 0.35

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
SCHEMBL30411911 1.00 F13A1 (0.45) F13A1TGM2TGM1HSD11B1GPR119
SCHEMBL30635739 0.85 HSD11B1 (0.46) F13A1TGM2TGM1HSD11B1GPR119
SCHEMBL30411472 0.85 HSD11B1 (0.46) F13A1TGM2TGM1HSD11B1GPR119
SCHEMBL26629221 0.85 CHRNB2 (0.35) ALDH1A1MAPT
SCHEMBL25215803 0.85 CHRNB2 (0.35) ALDH1A1MAPT
SCHEMBL30411352 0.83 HSD11B1 (0.45) F13A1TGM2TGM1HSD11B1GPR119
SCHEMBL30126003 0.83 RET (0.45) F13A1TGM2TGM1HSD11B1GPR119
SCHEMBL11920568 0.82 HSD11B1 (0.43) F13A1TGM2TGM1HSD11B1GPR119
Bicarbonate SCHEMBL30412048 0.81 HSD11B1 (0.43) F13A1TGM2TGM1HSD11B1GPR119
SCHEMBL2718590 0.80 MAPT (0.54) F13A1TGM2TGM1HSD11B1GPR119

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
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
Send feedback