SCHEMBL21825720

SCHEMBL21825720

C[C@@H](C#N)n1ccc([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
KLKB1 P03952 2/20 0.39
ELANE P08246 2/20 0.39
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 2/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL21825722 1.00 F2 (0.39) F2PLAUKLKB1ELANEKMT2A
SCHEMBL1863155 0.81 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826382 0.74 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826394 0.74 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825838 0.74 F2 (0.42) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825839 0.74 F2 (0.42) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21963184 0.74 F2 (0.42) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826733 0.73 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL1067129 0.73 F2 (0.41) F2PLAUKLKB1ELANEKMT2A
SCHEMBL18007648 0.73 F2 (0.47) F2PLAUKLKB1ELANEKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860976-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2021-08-11 EP disclosed
CN-113227049-A Indolinone compounds as MAP4K1 inhibitors 艾科诺斯科技股份有限公司 2021-08-06 CN disclosed
WO-2020070331-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 WO disclosed