SCHEMBL2190725

SCHEMBL2190725

C=C(CN(C)C)C(=O)NCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
PAX8 Q06710 1/20 0.35
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MCL1 Q07820 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
SCHEMBL7868646 0.83 NPC1 (0.40) EGFRPAX8MMP1MMP2MMP3
SCHEMBL16385528 0.83 CA12 (0.34)
SCHEMBL1082715 0.78 TSHR (0.39) EGFRPAX8KMT2A
SCHEMBL5965047 0.78 EGFR (0.37) EGFRPAX8
SCHEMBL2187184 0.77 EGFR (0.42) EGFRPAX8
SCHEMBL7936208 0.77
Ammonia Solution, Strong SCHEMBL5428819 0.75 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL21450442 0.75
N,N-Dimethylethanaminium SCHEMBL446422 0.74 TGFBR1 (0.38) MMP1MMP2MMP3MMP9MMP8
SCHEMBL20379699 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078413-A1 FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-05-11 WO disclosed
EP-3328950-A1 HYDROGEL, PRODUCTION, AND MEDICAL DEVICE COMPRISING AN ELECTRODE COATED THEREWITH Leonh. Lang (AT) 2018-06-06 EP disclosed
WO-2017050424-A1 HYDROGEL, PRODUCTION, AND MEDICAL DEVICE COMPRISING AN ELECTRODE COATED THEREWITH LEONH. LANG (AT) 2017-03-30 WO disclosed
EP-2342079-A1 USE OF COMPOSITE FILMS AS A PACKAGING MATERIAL FOR OXIDATION-SENSITIVE POLYMERS, METHOD FOR PACKAGING OXIDATION-SENSITIVE POLYMERS, AND PACKAGING FORMS CONTAINING SAID COMPOSITE FILMS BASF SE (DE) 2011-07-13 EP disclosed
WO-2010052088-A1 USE OF COMPOSITE FILMS AS A PACKAGING MATERIAL FOR OXIDATION-SENSITIVE POLYMERS, METHOD FOR PACKAGING OXIDATION-SENSITIVE POLYMERS, AND PACKAGING FORMS CONTAINING SAID COMPOSITE FILMS BASF SE (DE) 2010-05-14 WO disclosed