SCHEMBL21826682

SCHEMBL21826682

COC(=O)C(C)n1ccc([N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
PLAU P00749 3/20 0.43
KLKB1 P03952 3/20 0.43
ELANE P08246 3/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 2/20 0.36
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CTRB1 P17538 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 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
SCHEMBL21826680 1.00 F2 (0.43) F2PLAUKLKB1ELANEKMT2A
SCHEMBL1856231 0.85 F2 (0.40) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826382 0.83 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826394 0.83 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21826733 0.82 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL21825683 0.82 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL28618048 0.79 F2 (0.43) F2PLAUKLKB1ELANEKMT2A
SCHEMBL1863155 0.77 F2 (0.44) F2PLAUKLKB1ELANEKMT2A
SCHEMBL28994123 0.77 ALDH1A1 (0.36) ALDH1A1LMNACYP2C9MAPT
SCHEMBL31105976 0.76 PKM (0.52) F2PLAUKLKB1ELANEALDH1A1

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